SCHEMBL9645489

SCHEMBL9645489

COc1cc(N)c(Cl)cc1C(=O)NC1CCCN2CCCCC12

nearest known ligand 0.90

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.66
HTR3E A5X5Y0 3/20 0.66
HTR3B O95264 3/20 0.66
HTR3D Q70Z44 3/20 0.66
HTR3C Q8WXA8 3/20 0.66
HTR4 Q13639 2/20 0.66
DRD2 P14416 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HTR5A P47898 1/20 0.64
MEN1 O00255 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
KMT2A Q03164 1/20 0.64
MAPK1 P28482 1/20 0.62

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
SCHEMBL11288314 0.89 HTR3A (0.60) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL11288524 0.87 HTR3A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9645522 0.85 DRD4 (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL16233211 0.82 HTR4 (0.90) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL11456465 0.82 HTR4 (0.70) HTR4DRD2
SCHEMBL8242269 0.82 HTR4 (0.73) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9644656 0.81 HTR4 (0.68) HTR4DRD2
SCHEMBL11457053 0.81 HTR4 (0.69) HTR3AHTR4DRD2CYP2D6CYP2C9
SCHEMBL10553783 0.81 HTR4 (0.65) HTR4DRD2
SCHEMBL9645517 0.81 HTR4 (0.73) HTR4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4213983-A Treating gastro-intestinal disorders and emesis with n-(heterocyclic substituted) benzamides BEECHAM GROUP LIMITED (GB) 1980-07-22 US claimed
EP-0327335-B1 ARYLAMIDO(AND ARYLTHIOAMIDO)-AZABICYCLOALKANES FOR ENHANCING MEMORY OR CORRECTING MEMORY DEFICIENCY SYNTHELABO (FR) 1992-10-14 EP disclosed
US-4863919-A Method of enhancing memory or correcting memory deficiency with arylamido(and arylthiomido)-azabicycloalkanes A. H. ROBINS COMPANY, INCORPORATED (US) 1989-09-05 US disclosed
EP-0327335-A1 Arylamido(and arylthioamido)-azabicycloalkanes for enhancing memory or correcting memory deficiency SYNTHELABO (FR) 1989-08-09 EP disclosed
EP-0190920-A2 Method of enhancing memory or correcting memory deficiency with arylamido (and arylthioamido)azabicycloalkanes SYNTHELABO (FR) 1986-08-13 EP disclosed
US-4605652-A ALZHEIMER'S DISEASE; SENILITY A. H. ROBINS COMPANY, INC. (US) 1986-08-12 US disclosed
US-4213983-A Treating gastro-intestinal disorders and emesis with n-(heterocyclic substituted) benzamides BEECHAM GROUP LIMITED (GB) 1980-07-22 US disclosed