SCHEMBL7899221

SCHEMBL7899221

NC(=S)c1cc(=O)c2cc(NC(=O)c3ccc(OCCCCCCCCc4ccccc4)cc3)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 1/20 0.58
NR1H4 Q96RI1 5/20 0.57
CYSLTR1 Q9Y271 5/20 0.50
CYSLTR2 Q9NS75 3/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49
AR P10275 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
ADORA1 P30542 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GPR17 Q13304 1/20 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
SCHEMBL7897057 0.99 RUVBL1 (0.59) RUVBL1NR1H4CYSLTR1CYSLTR2ABCC4
SCHEMBL8115074 0.92 RUVBL1 (0.60) RUVBL1NR1H4CYSLTR1CYSLTR2ABCC4
SCHEMBL8114983 0.89 RUVBL1 (0.57) RUVBL1NR1H4CYSLTR1CYSLTR2ABCC4
SCHEMBL8116579 0.89 RUVBL1 (0.59) RUVBL1NR1H4CYSLTR1CYSLTR2ABCC4
SCHEMBL7899216 0.88 POLB (0.52) NR1H4CYSLTR1CYSLTR2POLBMAPT
SCHEMBL7896345 0.88 POLB (0.52) NR1H4CYSLTR1CYSLTR2POLBMAPT
SCHEMBL6961338 0.88 RUVBL1 (0.58) RUVBL1NR1H4CYSLTR1CYSLTR2ABCC4
SCHEMBL7896357 0.87 POLB (0.55) NR1H4POLBMAPTGPR35
SCHEMBL8123356 0.87 RUVBL1 (0.57) RUVBL1NR1H4CYSLTR1CYSLTR2ABCC4
SCHEMBL6950678 0.87 RUVBL1 (0.59) RUVBL1NR1H4CYSLTR1CYSLTR2ABCC4

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
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