SCHEMBL9757142

SCHEMBL9757142

C=C(c1ccc(OCc2ccc3sc(-c4nnn[nH]4)cc3c2)cc1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TEC P42680 1/20 0.37
MAOB P27338 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
NR4A2 P43354 1/20 0.30

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
SCHEMBL9757146 0.81 TEC (0.37) TECCYSLTR2CYSLTR1
SCHEMBL9757175 0.81 TEC (0.37) TECMAOBCYSLTR2CYSLTR1RXRA
SCHEMBL9757075 0.81 ROCK1 (0.32) MAOB
SCHEMBL9757206 0.80 NR4A2 (0.42) TECMAOBCYSLTR1RXRARXRB
SCHEMBL9757647 0.76 MAOB (0.34) MAOBCYSLTR2CYSLTR1NR4A2
SCHEMBL9757132 0.73 FFAR1 (0.43) MAOBNR4A2
SCHEMBL9756982 0.73 FFAR1 (0.39) MAOBCYSLTR1NR4A2
SCHEMBL9756999 0.71 MAPT (0.35) CYSLTR2CYSLTR1
SCHEMBL9757222 0.71 CYSLTR1 (0.35) CYSLTR2CYSLTR1
SCHEMBL9757104 0.71 PDE10A (0.49) CYSLTR2CYSLTR1

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
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