SCHEMBL9602778

SCHEMBL9602778

NCCCCN1CCN(c2cncc(Cl)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
HTR2C P28335 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
DRD2 P14416 3/20 0.47
HRH1 P35367 3/20 0.47
CYP2D6 P10635 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL10672091 0.85 HTR2A (0.53) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL12813911 0.83 HTR2A (0.57) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10294633 0.80 HTR2A (0.60) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9528044 0.78 HTR2A (0.45) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9601272 0.78 HRH3 (0.57) HTR2AHTR1ADRD2
SCHEMBL3056725 0.76 KDM4E (0.64) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL10763408 0.76 HTR2A (0.43) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9600927 0.76 HTR1A (0.44) HTR2AHTR1ADRD2
SCHEMBL13532586 0.76 HTR1A (0.50) HTR2AHTR1ADRD2
Hydrochloric Acid SCHEMBL10470254 0.76 HTR2A (0.43) HTR2AKDM4EMEN1ALDH1A1CYP1A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309544-B1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-10 EP disclosed
US-5053508-A Anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-10-01 US disclosed
EP-0286263-B1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-15 EP disclosed
US-4824999-A INTERMEDIATES FOR ANTIPSYCHOTIC AND ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-25 US disclosed
EP-0309544-A1 PSYCHOTROPIC BICYCLIC IMIDES. AMERICAN HOME PROD (US) 1989-04-05 EP disclosed
US-4804751-A ANTIPSYCHOTIC, ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-02-14 US disclosed
US-4797488-A N-((4-(PHENYL OR HETEROCYCLIC)PIPERAZIN-1-YL)ALKYL)-1,5-METHANOCYCLOPENT(D)AZEPINE-2,4 -DIONES; ANXIOLYTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-01-10 US disclosed
EP-0286263-A1 Psychotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-12 EP disclosed
WO-1988007529-A1 PSYCHOTROPIC POLYCYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
WO-1988007530-A1 PSYCHOTROPIC BICYCLIC IMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1988-10-06 WO disclosed
US-4748240-A Psychotropic bicyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-05-31 US disclosed
US-4732983-A Pyschotropic polycyclic imides AMERICAN HOME PRODUCTS CORPORATION (US) 1988-03-22 US disclosed
US-4562255-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1985-12-31 US disclosed