SCHEMBL7329253

SCHEMBL7329253

CCc1nc(C(=O)NC23CC4CN(CC4C2)C3)c2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.45
CNR1 P21554 3/20 0.45
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR4 Q13639 7/20 0.39
GUCY1A1 Q02108 1/20 0.38
GUCY1B1 Q02153 1/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 4/20 0.36
CYP2D6 P10635 3/20 0.36

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
SCHEMBL7325697 0.78 TP53 (0.41) CNR2CNR1MAPTKDM4EALDH1A1
SCHEMBL3899250 0.75 CNR2 (0.59) CNR2CNR1
SCHEMBL9531310 0.74 CHRNA7 (0.51) HTR4
SCHEMBL7394879 0.74 KDM4E (0.52) CNR2CNR1KDM4EMEN1ALDH1A1
SCHEMBL3901927 0.73 CNR2 (0.57) CNR2CNR1GUCY1A1GUCY1B1
Hydrochloric Acid SCHEMBL9531740 0.73 CHRNA7 (0.50) HTR4
SCHEMBL4498121 0.71 MAPT (0.63) CNR2MAPTKDM4EMEN1ALDH1A1
SCHEMBL9532171 0.69 HTR4 (0.59) KDM4EALDH1A1HTR4CYP3A4CYP2D6
SCHEMBL13578376 0.68 CNR2 (0.61) CNR2CNR1
SCHEMBL4331158 0.67 CNR2 (0.42) CNR2CNR1MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5430040-A Anxiolytic agents, antidepressants, antiserotonine agents; treatment of psychosis, gastrointestinal disorders G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
US-5280029-A Containing imidazolo(1,5-a)pyridine G. D. SEARLE & CO. (US) 1994-01-18 US disclosed
US-5234921-A Antagonists of the serotonin 5-HT3 receptor; gastrointestinal disorders; antidepressants; drug abuse G. D. SEARLE & CO. (US) 1993-08-10 US disclosed
US-5227377-A Serotonin 5-HT3 receptor antagonists G. D. SEARLE & CO. (US) 1993-07-13 US disclosed
US-5219850-A Anyiolytic agents, gastrointestinal disorders, antiserotonin agents G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
US-5137893-A Anxilytic agents; antidepressants; antiemetics G. D. SEARLE & CO. (US) 1992-08-11 US disclosed