SCHEMBL9529157

SCHEMBL9529157

c1cncc(Cc2cc3cc(OCc4ccc5ccccc5n4)ccc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.54
LTB4R Q15722 4/20 0.50
CYSLTR1 Q9Y271 4/20 0.48
GPBAR1 Q8TDU6 2/20 0.48
CYSLTR2 Q9NS75 2/20 0.45
ALOX5AP P20292 1/20 0.45

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
SCHEMBL9531945 0.89 PDE10A (0.51) PDE10ALTB4RCYSLTR1GPBAR1CYSLTR2
SCHEMBL9529181 0.85 MAOA (0.43) ALOX5AP
SCHEMBL9529663 0.84 PDE10A (0.51) PDE10ACYSLTR1GPBAR1CYSLTR2ALOX5AP
SCHEMBL9530340 0.83 CYSLTR1 (0.55) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9199458 0.79 GPBAR1 (0.59) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL9530803 0.77 PDE10A (0.52) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL9529814 0.77 CYSLTR1 (0.52) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL9208722 0.76 CYSLTR1 (0.60) PDE10ACYSLTR1GPBAR1CYSLTR2
SCHEMBL19050214 0.75 IDO1 (0.57)
SCHEMBL9205037 0.74 ALOX5AP (0.55) PDE10ALTB4RCYSLTR1GPBAR1CYSLTR2

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 4 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 claimed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO claimed
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