SCHEMBL6955431

SCHEMBL6955431

N#Cc1ccc(OCCCCCCCCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.66
MAOB P27338 2/20 0.62
FFAR1 O14842 2/20 0.56
MAOA P21397 1/20 0.54
PLA2G4B P0C869 1/20 0.54
HRH3 Q9Y5N1 1/20 0.51
S1PR1 P21453 3/20 0.51
S1PR3 Q99500 1/20 0.51
S1PR5 Q9H228 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
ABCB1 P08183 1/20 0.49
HPGD P15428 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KCNA3 P22001 1/20 0.48

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
SCHEMBL6961363 1.00 NAAA (0.66) NAAAMAOBFFAR1MAOAPLA2G4B
SCHEMBL6061937 0.98 MAOB (0.64) NAAAMAOBFFAR1MAOAPLA2G4B
SCHEMBL7302933 0.93 MAOB (0.66) NAAAMAOBFFAR1MAOAS1PR1
SCHEMBL3714917 0.88 MAOB (0.68) NAAAMAOBFFAR1MAOAABCB1
SCHEMBL1777722 0.88 KCNA3 (0.64) NAAAMAOBHRH3HPGDTSHR
SCHEMBL15615801 0.87 TSHR (0.66) NAAAHRH3HPGDTSHRHSD17B10
SCHEMBL15615809 0.87 TSHR (0.66) NAAAHRH3HPGDTSHRHSD17B10
SCHEMBL9034892 0.87 NAAA (0.52) NAAAMAOBFFAR1MAOAPLA2G4B
SCHEMBL6959119 0.86 TSHR (0.62) NAAAMAOBMAOATSHRHSD17B10
SCHEMBL5280900 0.86 KCNA3 (0.67) MAOBHRH3TSHRKCNA3

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