SCHEMBL7989618

SCHEMBL7989618

O=C(NCC1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.41
KCNA3 P22001 1/20 0.40
USP30 Q70CQ3 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
TPSAB1 Q15661 2/20 0.39
HTR4 Q13639 1/20 0.38

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 SCHEMBL7972100 0.99 CCR5 (0.41) CCR5KCNA3USP30OPRM1OPRL1
SCHEMBL7981833 0.89 HTR4 (0.47) HTR4
Hydrochloric Acid SCHEMBL7986403 0.88 HTR4 (0.47) HTR4
SCHEMBL7989660 0.88 USP30 (0.38) USP30TPSAB1HTR4
SCHEMBL7982426 0.87 LTA4H (0.47) HTR4
SCHEMBL7989146 0.87 HTR7 (0.49) HTR4
Hydrochloric Acid SCHEMBL7985995 0.87 USP30 (0.38) USP30TPSAB1HTR4
SCHEMBL7983124 0.87 HDAC3 (0.51) HTR4
Hydrochloric Acid SCHEMBL7983742 0.86 HTR7 (0.49) HTR4
SCHEMBL7986053 0.86 HTR7 (0.45) HTR4

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