SCHEMBL9645522

SCHEMBL9645522

COc1cc(NC(C)=O)c(Cl)cc1C(=O)NC1CCCN2CCCCC12

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.53
DRD2 P14416 3/20 0.49
DRD3 P35462 2/20 0.49
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
HTR4 Q13639 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL11288530 0.89 DRD4 (0.47) DRD4DRD2DRD3HTR3EHTR3B
SCHEMBL9645489 0.85 HTR3A (0.66) DRD2HTR3EHTR3BHTR3AHTR3D
SCHEMBL11091966 0.82 DRD4 (0.57) DRD4DRD2DRD3HTR3EHTR3B
SCHEMBL9645414 0.82 DRD4 (0.73) DRD4
SCHEMBL9644709 0.82 DRD4 (0.67) DRD4HTR4
SCHEMBL11456486 0.82 DRD4 (0.65) DRD4HTR4
SCHEMBL16607301 0.81 ALDH1A1 (0.64) DRD4HTR4
SCHEMBL14490802 0.80 HTR3A (0.74) DRD4DRD2DRD3HTR3EHTR3B
SCHEMBL10998621 0.80 DRD4 (0.63) DRD4DRD3HTR4
SCHEMBL7406693 0.80 DRD2 (0.74) DRD4DRD2DRD3HTR3EHTR3B

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