SCHEMBL7362659

SCHEMBL7362659

CCc1cc(C(=O)NCC23CCCN2CCC3)c2ccccn12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCN4 Q9Y3Q4 12/20 0.53
HCN1 O60741 10/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 2/20 0.51
CHRNA7 P36544 1/20 0.46
HCN3 Q9P1Z3 1/20 0.46
HCN2 Q9UL51 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL4705312 0.71 FNTA (0.55) MEN1KMT2AGAATP53KDM4E
SCHEMBL7325697 0.69 TP53 (0.41) GAATP53KDM4EMAPTTHRB
SCHEMBL7398258 0.68 KMT2A (0.54) HCN4HCN1MEN1KMT2AGAA
SCHEMBL7402458 0.68 KDM4E (0.54) HCN4HCN1MEN1KMT2AGAA
SCHEMBL9531570 0.68 CHRNA7 (0.52) CHRNA7
SCHEMBL9533778 0.67 HTR3A (0.57)
SCHEMBL7335797 0.66 MAPT (0.56) HCN4HCN1MEN1KMT2AGAA
SCHEMBL1761845 0.65 ADRA2A (0.45) TP53
Hydrochloric Acid SCHEMBL9684524 0.65 ADRA2A (0.44) TP53
Hydrochloric Acid SCHEMBL9684279 0.65 ADRA2A (0.44) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627190-A TREATMENT OF ANXIETY, PSYCHOSES, DEPRESSION, ORGASTROINTESTINAL DISORDERS, 5-HYDROXYTRYPTAMINE ANTAGONISTS G. D. SEARLE & CO. (US) 1997-05-06 US disclosed
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