SCHEMBL7448002

SCHEMBL7448002

CN1C2CCC1CC(NCc1cc3ccccc3[nH]1)C2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
CHRNA7 P36544 2/20 0.47
SSTR3 P32745 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
VCP P55072 1/20 0.44
CASR P41180 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL8102814 0.95 VCP (0.50) HRH3CHRNA7SSTR3HRH4VCP
SCHEMBL7296680 0.88 HRH3 (0.52) HRH3CHRNA7HRH4VCPDRD2
SCHEMBL2278489 0.82 SSTR3 (0.54) HRH3CHRNA7SSTR3VCPCASR
SCHEMBL8110562 0.81 RAB9A (0.40) CHRNA7VCP
SCHEMBL8111998 0.80 CHRM1 (0.39) VCPDRD4DRD3
SCHEMBL22604095 0.78 SSTR3 (0.57) HRH3SSTR3
SCHEMBL8112708 0.77 MTNR1A (0.40) CHRNA7VCP
SCHEMBL8102563 0.76 MTNR1A (0.41) CHRNA7HRH4VCP
SCHEMBL7303201 0.76 CXCR6 (0.55) VCP
SCHEMBL22584092 0.74 SSTR3 (0.73) HRH3CHRNA7SSTR3CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711299-B1 AZABICYCLOALKYL DERIVATIVES OF IMIDAZO(1,5-a)INDOL-3-ONE AS 5HT 3 ANTAGONISTS PHARMACIA & UPJOHN SPA (IT) 2000-01-05 EP disclosed
US-5637596-A REACTING AMINOMETHYLINDOLE DERIVATIVE WITH A CARBONYL CONTAINING CYCLIZING AGENT; 5-HT3 RECEPTOR ATAGONIST; USEFUL FOR TREATING ANXIETY, PSYCHOSIS, GUT MOTILITY DISORDER, EMESIS, MIGRAINE AND DRUG ADDICTION PHARMACIA S.P.A. (IT) 1997-06-10 US disclosed
EP-0711299-A1 AZABICYCLOALKYL DERIVATIVES OF IMIDAZO(1,5-a)INDOL-3-ONE AS 5HT 3 ANTAGONISTS PHARMACIA & UPJOHN S.p.A. (IT) 1996-05-15 EP disclosed
WO-1995032209-A1 AZABICYCLOALKYL DERIVATIVES OF IMIDAZO(1,5-a)INDOL-3-ONE AS 5HT3 ANTAGONISTS PHARMACIA S.P.A. (IT) 1995-11-30 WO disclosed