SCHEMBL9203602

SCHEMBL9203602

CCCCCCCn1ccc2cc(OCc3ccc4ccccc4n3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.60
CYSLTR1 Q9Y271 5/20 0.60
CYSLTR2 Q9NS75 3/20 0.60
CYP1A2 P05177 5/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
CYP2C19 P33261 1/20 0.53
HIF1A Q16665 1/20 0.53
MEN1 O00255 1/20 0.53
GMNN O75496 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
ALOX5 P09917 1/20 0.53
HPGD P15428 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53

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
SCHEMBL9199452 0.91 GPBAR1 (0.59) GPBAR1CYSLTR1CYSLTR2CYP1A2MAPK1
SCHEMBL9202170 0.87 PDE10A (0.52) GPBAR1CYSLTR1CYSLTR2CYP1A2PDE10A
SCHEMBL9201885 0.87 CYSLTR1 (0.52) GPBAR1CYSLTR1CYSLTR2CYP1A2PDE10A
SCHEMBL9209065 0.81 CYSLTR1 (0.63) GPBAR1CYSLTR1CYSLTR2CYP1A2ALOX5
SCHEMBL9207173 0.81 CYSLTR1 (0.59) GPBAR1CYSLTR1CYSLTR2
SCHEMBL6097633 0.81 MEN1 (0.53) MEN1ALOX5KMT2A
SCHEMBL3927600 0.81 MEN1 (0.53) MEN1ALOX5KMT2A
SCHEMBL9201884 0.81 PDE10A (0.50) GPBAR1CYSLTR1CYSLTR2CYP1A2PDE10A
SCHEMBL9273829 0.79 PDE10A (0.48) GPBAR1CYSLTR1CYSLTR2CYP1A2PDE10A
SCHEMBL9209194 0.79 CYSLTR1 (0.59) GPBAR1CYSLTR1CYSLTR2CYP1A2ALOX5

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 8 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 claimed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US claimed
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-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