SCHEMBL9202170

SCHEMBL9202170

NCCCn1ccc2cc(OCc3ccc4ccccc4n3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.52
CYSLTR1 Q9Y271 6/20 0.51
GPBAR1 Q8TDU6 5/20 0.51
CYSLTR2 Q9NS75 2/20 0.51
CYP1A2 P05177 7/20 0.49

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
SCHEMBL9201885 0.89 CYSLTR1 (0.52) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9203602 0.87 GPBAR1 (0.60) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9199452 0.87 GPBAR1 (0.59) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9207173 0.83 CYSLTR1 (0.59) CYSLTR1GPBAR1CYSLTR2
SCHEMBL9201884 0.82 PDE10A (0.50) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9273829 0.81 PDE10A (0.48) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9202041 0.80 ALOX5AP (0.55) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9202068 0.79 CYSLTR1 (0.53) CYSLTR1CYSLTR2
SCHEMBL9209065 0.79 CYSLTR1 (0.63) PDE10ACYSLTR1GPBAR1CYSLTR2CYP1A2
SCHEMBL9199593 0.77 CYSLTR1 (0.56) PDE10ACYSLTR1GPBAR1CYSLTR2

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-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP disclosed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US disclosed
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