SCHEMBL6957851

SCHEMBL6957851

c1ccc(CCCCc2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
CES1 P23141 2/20 0.36
NCEH1 Q6PIU2 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
DAO P14920 1/20 0.35

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
SCHEMBL6952118 0.98 IGF1R (0.38) IGF1RALOX15MAOBMAOAHRH3
SCHEMBL6954931 0.98 IGF1R (0.38) IGF1RALOX15MAOBMAOAHRH3
SCHEMBL6963004 0.94 MAOA (0.41) MAOBMAOAHRH3DAO
SCHEMBL3822509 0.88 SPHK2 (0.31)
SCHEMBL6957496 0.87 LPL (0.44) HSD11B1
SCHEMBL6956763 0.87 LPL (0.44) HSD11B1
SCHEMBL6952046 0.87 HSD11B1 (0.39) HSD11B1
SCHEMBL6962342 0.86 MAOB (0.43) IGF1RALOX15MAOBMAOAHRH3
SCHEMBL6962302 0.85 NAAA (0.43) MAOBMAOAFAAHMGLL
SCHEMBL5438306 0.85 SPHK2 (0.32)

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