SCHEMBL7572345

SCHEMBL7572345

CCC(NC(CO)c1cccc(Cl)c1)c1c[nH]c2c([O])cccc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MAPK3 P27361 2/20 0.38
MAPK1 P28482 2/20 0.38
ADRB1 P08588 7/20 0.37
ADRB2 P07550 5/20 0.37
PNP P00491 4/20 0.37
TAOK1 Q7L7X3 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35

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
SCHEMBL678588 0.83 ADRB3 (0.56) ADRB3ADRB1ADRB2PNP
SCHEMBL7593268 0.81 ADRB3 (0.46) ADRB3MAPK3MAPK1ADRB1ADRB2
SCHEMBL7779180 0.70 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL14252613 0.68 ADRB2 (0.43) ADRB3IDO1TDO2MAPK3MAPK1
SCHEMBL14338095 0.68 ADRB2 (0.43) ADRB3IDO1TDO2MAPK3MAPK1
SCHEMBL7782074 0.67 ADRB3 (0.71) ADRB3ADRB1ADRB2
SCHEMBL7572351 0.67 ADRB3 (0.81) ADRB3ADRB1ADRB2
SCHEMBL27351455 0.66 ADRB2 (0.43) ADRB3IDO1TDO2MAPK3MAPK1
SCHEMBL5536670 0.65 ADRB3 (0.48) ADRB3ADRB1ADRB2
SCHEMBL14350620 0.65 IDO1 (0.44) ADRB3IDO1TDO2MAPK1ADRB1

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
EP-1235801-A2 SOLID PHARMACEUTICAL PREPARATION Dainippon Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP disclosed
WO-2001040182-A3 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO (JP) 2002-06-27 WO disclosed
WO-2001040182-A2 SOLID PHARMACEUTICAL PREPARATION DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-06-07 WO disclosed