SCHEMBL7989522

SCHEMBL7989522

O=C(NCCC1CCN(CCCc2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.53
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ACHE P22303 1/20 0.43
CCR3 P51677 1/20 0.42
DRD4 P21917 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
Hydrochloric Acid SCHEMBL7972385 0.99 CHRM4 (0.52) CHRM4MAOAMAOBACHECCR3
SCHEMBL7983920 0.96 CHRM4 (0.48) CHRM4MAOAMAOBCCR3DRD4
Hydrochloric Acid SCHEMBL7981637 0.95 CHRM4 (0.47) CHRM4MAOAMAOBCCR3DRD4
SCHEMBL7989700 0.95 CHRM4 (0.46) CHRM4MAOAMAOBACHE
Hydrochloric Acid SCHEMBL7986707 0.94 CHRM4 (0.46) CHRM4MAOAMAOBACHE
SCHEMBL7990681 0.92 CHRM4 (0.43) CHRM4MAOAMAOBACHECCR3
SCHEMBL7982426 0.92 LTA4H (0.47) CHRM4MAOAMAOBDRD4GRIN2B
Hydrochloric Acid SCHEMBL7989624 0.91 CHRM4 (0.42) CHRM4MAOAMAOBACHECCR3
Hydrochloric Acid SCHEMBL7971795 0.91 LTA4H (0.47) CHRM4MAOAMAOBDRD4GRIN2B
SCHEMBL7985583 0.90 ALDH1A1 (0.43) CHRM4DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed