SCHEMBL9529663

SCHEMBL9529663

Clc1ccc(Cc2cc3cc(OCc4ccc5ccccc5n4)ccc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.51
CYSLTR1 Q9Y271 8/20 0.50
CYSLTR2 Q9NS75 4/20 0.50
FFAR1 O14842 1/20 0.47
AKR1B1 P15121 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.47
ALOX5AP P20292 2/20 0.46

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
SCHEMBL9531674 0.84 PDE10A (0.46) PDE10AFFAR1ALOX5AP
SCHEMBL9529157 0.84 PDE10A (0.54) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5AP
SCHEMBL9530340 0.83 CYSLTR1 (0.55) CYSLTR1CYSLTR2GPBAR1
SCHEMBL6990842 0.82 MAOB (0.57)
SCHEMBL9199458 0.81 GPBAR1 (0.59) PDE10ACYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9530467 0.80 ALOX5AP (0.44) PDE10ACYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9528615 0.79 GPBAR1 (0.54) PDE10ACYSLTR1CYSLTR2GPBAR1
SCHEMBL9529814 0.79 CYSLTR1 (0.52) PDE10ACYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9530803 0.79 PDE10A (0.52) PDE10ACYSLTR1CYSLTR2FFAR1AKR1B1
SCHEMBL9529057 0.79 PDE10A (0.48) PDE10ACYSLTR1CYSLTR2FFAR1AKR1B1

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