SCHEMBL7325697

SCHEMBL7325697

CCc1cc(C(=O)NC23CC4CN(CC4C2)C3)c2ccccn12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
CNR2 P34972 15/20 0.38
CNR1 P21554 6/20 0.38
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL7329253 0.78 CNR2 (0.45) TP53CNR2CNR1KDM4EALDH1A1
SCHEMBL1761845 0.75 ADRA2A (0.45) TP53CNR2CNR1
Hydrochloric Acid SCHEMBL9684524 0.74 ADRA2A (0.44) TP53CNR2CNR1
Hydrochloric Acid SCHEMBL9684279 0.74 ADRA2A (0.44) TP53CNR2CNR1
SCHEMBL9531570 0.74 CHRNA7 (0.52)
SCHEMBL9531411 0.70 HTR3E (0.41) TP53
SCHEMBL4705312 0.70 FNTA (0.55) TP53FNTAFNTBKDM4EALDH1A1
SCHEMBL7362659 0.69 HCN4 (0.53) TP53KDM4EGAAMAPTTHRB
SCHEMBL9533778 0.68 HTR3A (0.57) ALDH1A1
SCHEMBL7373238 0.65 MAPT (0.42) TP53FNTAFNTBKDM4EALDH1A1

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-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-5196547-A Meso-azacyclic amides of imidazopyridine carboxylic acids and analogs thereof G. D. SEARLE & CO. (US) 1993-03-23 US disclosed
US-5137893-A Anxilytic agents; antidepressants; antiemetics G. D. SEARLE & CO. (US) 1992-08-11 US disclosed