SCHEMBL6961775

SCHEMBL6961775

c1ccc(CCCCCCCCCCCCCCCOc2ccc(-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
FFAR1 O14842 2/20 0.47
GP6 Q9HCN6 2/20 0.45
PLA2G4B P0C869 1/20 0.45
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.43
PLA2G2A P14555 2/20 0.43
PLA2G10 O15496 1/20 0.42
PLA2G1B P04054 1/20 0.42
PLA2G5 P39877 1/20 0.42
HPGD P15428 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL6956913 1.00 NAAA (0.48) NAAAFFAR1GP6PLA2G4BS1PR1
SCHEMBL6962103 0.99 FFAR1 (0.48) NAAAFFAR1GP6PLA2G4BS1PR1
SCHEMBL6949662 0.91 GP6 (0.54) FFAR1GP6HPGD
SCHEMBL6960108 0.87 MAOB (0.42) HDAC1HDAC2
SCHEMBL6957566 0.87 MAOB (0.42) HDAC1HDAC2
SCHEMBL6957345 0.86 NAAA (0.45) NAAAGP6HDAC3HDAC4HDAC1
SCHEMBL6956745 0.86 NAAA (0.45) NAAAGP6HDAC3HDAC4HDAC1
SCHEMBL6962342 0.86 MAOB (0.43)
SCHEMBL6962302 0.85 NAAA (0.43) NAAAFFAR1GP6DRD2DRD4
SCHEMBL6957526 0.82 PRMT5 (0.51) HDAC6

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 5 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
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed