SCHEMBL6956086

SCHEMBL6956086

O=C(Nc1ccc2oc(-c3nnn[nH]3)cc(=O)c2c1)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 1/20 0.67
CYSLTR1 Q9Y271 14/20 0.56
CYSLTR2 Q9NS75 12/20 0.56
NR1H4 Q96RI1 2/20 0.56
ABCC4 O15439 1/20 0.56
ABCB11 O95342 1/20 0.56
PGR P06401 1/20 0.56
HTR1A P08908 1/20 0.56
AR P10275 1/20 0.56
CHRM1 P11229 1/20 0.56
DRD1 P21728 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
PDE4A P27815 1/20 0.56
ADORA1 P30542 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRM1 P35372 1/20 0.56
DRD3 P35462 1/20 0.56
SLC6A3 Q01959 1/20 0.56
GPR17 Q13304 1/20 0.56

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
SCHEMBL6962842 0.99 RUVBL1 (0.66) RUVBL1CYSLTR1CYSLTR2NR1H4ABCC4
SCHEMBL15547055 0.94 RUVBL1 (0.76) RUVBL1CYSLTR1CYSLTR2NR1H4ABCC4
SCHEMBL6957932 0.89 CYSLTR2 (0.51) RUVBL1CYSLTR1CYSLTR2NR1H4MAPT
SCHEMBL6955693 0.88 CYSLTR2 (0.53) RUVBL1CYSLTR1CYSLTR2NR1H4MAPT
SCHEMBL6960379 0.88 CYSLTR2 (0.53) RUVBL1CYSLTR1CYSLTR2NR1H4MAPT
SCHEMBL6961859 0.87 RUVBL1 (0.49) RUVBL1CYSLTR1CYSLTR2MAPT
SCHEMBL6961590 0.86 RUVBL1 (0.50) RUVBL1CYSLTR1CYSLTR2NR1H4ABCC4
SCHEMBL6950746 0.85 POLB (0.51) RUVBL1MAPT
Pranlukast SCHEMBL31756724 0.85 CYSLTR2 (0.76) RUVBL1CYSLTR1CYSLTR2NR1H4ABCC4
Pranlukast SCHEMBL3693 0.85 CYSLTR2 (0.76) RUVBL1CYSLTR1CYSLTR2NR1H4ABCC4

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-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed