SCHEMBL6960108

SCHEMBL6960108

c1ccc(CCCCCCCCc2ccc(-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
HSD11B1 P28845 2/20 0.41
SIGMAR1 Q99720 8/20 0.41
CES1 P23141 1/20 0.40
NCEH1 Q6PIU2 1/20 0.40
MAOA P21397 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
HTR2A P28223 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6957566 1.00 MAOB (0.42) MAOBHSD11B1SIGMAR1CES1NCEH1
SCHEMBL6962342 0.98 MAOB (0.43) MAOBHSD11B1SIGMAR1CES1NCEH1
SCHEMBL6957069 0.92 MAOA (0.39) MAOBHSD11B1MAOA
SCHEMBL6961775 0.87 NAAA (0.48) HDAC1HDAC2
SCHEMBL6956913 0.87 NAAA (0.48) HDAC1HDAC2
SCHEMBL6954931 0.86 IGF1R (0.38) MAOBHSD11B1SIGMAR1CES1NCEH1
SCHEMBL6952118 0.86 IGF1R (0.38) MAOBHSD11B1SIGMAR1CES1NCEH1
SCHEMBL6957211 0.86 RAB9A (0.49) HSD11B1MAPTHTR2A
SCHEMBL6952885 0.86 RAB9A (0.49) HSD11B1MAPTHTR2A
SCHEMBL6962103 0.86 FFAR1 (0.48)

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