SCHEMBL7288351

SCHEMBL7288351

NCCOC(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.57
SCN2A Q99250 3/20 0.57
SCN3A Q9NY46 3/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
HRH1 P35367 2/20 0.57
CHRM2 P08172 2/20 0.57
ADRA2A P08913 2/20 0.57
CHRM1 P11229 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
OPRM1 P35372 2/20 0.57
DRD3 P35462 2/20 0.57
SLC6A3 Q01959 2/20 0.57
HTR2A P28223 2/20 0.57
CYP1A2 P05177 1/20 0.57
CHRM4 P08173 1/20 0.57
CHRM5 P08912 1/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromomethane SCHEMBL5569429 0.94 SLC6A2 (0.56) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL3333232 0.87 SCN1A (0.53) SCN1ASCN2ASCN3ALMNAHTT
Maleic Acid SCHEMBL9771017 0.86 KDM4E (0.50) ADRA1AKDM4EHTR1A
SCHEMBL4667564 0.85 SCN1A (0.65) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL5160316 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL14528133 0.84 IDO1 (0.61) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL16767872 0.82 HRH1 (0.48) HRH1SLC6A4SLC6A3HTR2ACYP1A2
SCHEMBL10456715 0.82 SCN1A (0.57) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL25375446 0.82 CYP2D6 (0.68) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL4669231 0.81 SLC6A2 (0.61) SCN1ASCN2ASCN3ALMNAHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP claimed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US claimed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP claimed
WO-2022257981-A1 USE OF COMPOUNDS IN INHIBITING OR KILLING MITES AND TREATING DRY-EYE SYNDROME 广州岐微生物医药科技有限公司 2022-12-15 WO disclosed
EP-2500039-A1 Oligomer-antihistamine conjugates Nektar Therapeutics (US) 2012-09-19 EP disclosed
WO-2008112257-A1 OLIGOMER-ANTIHISTAMINE CONJUGATES NEKTAR THERAPEUTICS (US) 2008-09-18 WO disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 EP disclosed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 EP disclosed
US-5162537-A To safen acetamide herbicids used to control grassy and broadleaf weeds in rice, sorghum and wheat MONSANTO COMPANY (US) 1992-11-10 US disclosed
EP-0262448-B1 IMIDAZOLYLGUANIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HEUMANN PHARMA GMBH & CO (DE) 1991-12-18 EP disclosed
EP-0448765-A1 Use of guanidine derivatives for the manufacture of a medicament with NPY-antagonistic activity HEUMANN PHARMA GMBH & CO (DE) 1991-10-02 EP disclosed
EP-0302896-B1 N-(W-SUBSTITUTED ALKYL)-N'-[(IMIDAZOLE-4-YL)ALKYL]GUANIDINE CEDONA PHARMACEUTICALS B.V. (NL) 1991-08-14 EP disclosed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed
US-4912119-A Cardiovascular disorders HEUMANN PHARMA GMBH & CO. (DE) 1990-03-27 US disclosed
EP-0262448-A1 Imidazolylguanidine derivatives, process for their preparation and medicines containing them HEUMANN PHARMA GMBH & CO (DE) 1988-04-06 EP disclosed
US-4049825-A Aminoalkylethers; composition and method of use GIST-BROCADES N.V. (NL) 1977-09-20 US disclosed
US-4003932-A DOPAMINERGIC PROPERTIES GIST-BROCADES N.V. (NL) 1977-01-18 US disclosed