SCHEMBL9529057

SCHEMBL9529057

O=Cc1c(Cc2ccc(Cl)cc2)[nH]c2ccc(OCc3ccc4ccccc4n3)cc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.48
ALOX5AP P20292 7/20 0.47
CYSLTR1 Q9Y271 3/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
ALOX5 P09917 5/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL9531083 0.85 PDE10A (0.43) PDE10AALOX5APCYSLTR1CYSLTR2
SCHEMBL9529663 0.79 PDE10A (0.51) PDE10AALOX5APCYSLTR1CYSLTR2FFAR1
SCHEMBL9210251 0.74 ALOX5AP (0.55) PDE10AALOX5APCYSLTR1ALOX5PTGS1
SCHEMBL2107856 0.74 ALOX5AP (0.60) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL10690965 0.73 CYSLTR1 (0.76) PDE10AALOX5APCYSLTR1CYSLTR2ALOX5
SCHEMBL4604394 0.73 ALOX5AP (0.56) ALOX5APALOX5PTGS1PTGS2CYP3A4
SCHEMBL9212984 0.73 ALOX5AP (0.51) ALOX5APCYSLTR1ALOX5PTGS1PTGS2
SCHEMBL9530467 0.72 ALOX5AP (0.44) PDE10AALOX5APCYSLTR1CYSLTR2FFAR1
SCHEMBL8799860 0.72 PDE10A (0.60) PDE10ACYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9201587 0.71 CYSLTR1 (0.56) PDE10ACYSLTR1CYSLTR2ALOX5PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO disclosed