SCHEMBL7335797

SCHEMBL7335797

O=C(NCC12CCCN1CCC2)c1cn2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
CHRNA7 P36544 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
METTL3 Q86U44 1/20 0.45
PKM P14618 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
SCHEMBL31040086 0.75 MAPT (0.68) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL169467 0.75 MAPT (0.76) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL4620787 0.73 MAPT (1.00) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL21378607 0.73 CYP1A2 (0.68) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL21396319 0.71 MAPT (0.64) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL15924280 0.70 MAPT (0.72) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL2447095 0.68 CYP1A2 (0.60) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL3649105 0.68 HPGD (0.64) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL35210092 0.68 MAPT (0.56) MAPTCYP1A2CYP3A4NPC1RAB9A
SCHEMBL7398258 0.68 KMT2A (0.54) CHRNA7MEN1KMT2AGAAHCN1

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