SCHEMBL9756982

SCHEMBL9756982

C=C(c1cccc(OCc2ccc3nc(-c4nnn[nH]4)oc3c2)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
F2RL3 Q96RI0 3/20 0.36
F2 P00734 2/20 0.35
NR4A2 P43354 2/20 0.35
MAOB P27338 4/20 0.34
MAOA P21397 2/20 0.34
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
CETP P11597 1/20 0.33
HPD P32754 1/20 0.33
SMPD1 P17405 1/20 0.32

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
SCHEMBL9757132 0.94 FFAR1 (0.43) FFAR1PPARDPPARAF2NR4A2
SCHEMBL9757175 0.91 TEC (0.37) FFAR1PPARDPPARAF2RL3NR4A2
SCHEMBL9757283 0.91 CYSLTR1 (0.38) F2CYSLTR1
SCHEMBL9757164 0.87 NR4A2 (0.33) FFAR1PPARDPPARANR4A2MAOB
SCHEMBL9757135 0.86 TTR (0.34) MAOA
SCHEMBL9756956 0.84 CYSLTR1 (0.42) FFAR1PPARDPPARACYSLTR1
SCHEMBL9757222 0.83 CYSLTR1 (0.35) CYSLTR1
SCHEMBL9757039 0.82 PSMB8 (0.46) FFAR1PPARDPPARAF2NR4A2
SCHEMBL9757051 0.81 SMN1; SMN2 (0.38)
SCHEMBL9756995 0.80 CYSLTR1 (0.47) FFAR1PPARDPPARAF2RL3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO claimed
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 US disclosed