SCHEMBL7972512

SCHEMBL7972512

O=C(C=CC1=Cc2cnc3cccc(n23)S1)NC1CCN(CCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
DRD4 P21917 4/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CXCR3 P49682 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CCR3 P51677 1/20 0.37

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
SCHEMBL7972507 1.00 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7982947 0.99 SIGMAR1 (0.45) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7982951 0.99 SIGMAR1 (0.45) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7989409 0.95 DRD4 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7989406 0.95 DRD4 (0.44) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7986140 0.94 DRD4 (0.43) SIGMAR1DRD2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7986142 0.94 DRD4 (0.43) SIGMAR1DRD2HTR2AHTR2CHTR2B
SCHEMBL7972030 0.89 HDAC1 (0.42) SIGMAR1HTR2AHDAC1HDAC8HDAC6
SCHEMBL7972027 0.89 HDAC1 (0.42) SIGMAR1HTR2AHDAC1HDAC8HDAC6
Hydrochloric Acid SCHEMBL7986167 0.88 HDAC1 (0.42) HTR2AHDAC1HDAC8HDAC6MAOA

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