SCHEMBL6957069

SCHEMBL6957069

c1ccc(CCc2ccc(-c3nnn[nH]3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.39
MAOB P27338 4/20 0.39
KCNH2 Q12809 2/20 0.37
PDE10A Q9Y233 1/20 0.37
DAO P14920 1/20 0.37
FFAR1 O14842 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PARP1 P09874 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
ATM Q13315 1/20 0.35
HSD11B1 P28845 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 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
SCHEMBL6962342 0.93 MAOB (0.43) MAOAMAOBHSD11B1
SCHEMBL6957566 0.92 MAOB (0.42) MAOAMAOBHSD11B1
SCHEMBL6960108 0.92 MAOB (0.42) MAOAMAOBHSD11B1
SCHEMBL6955273 0.89 CALM1 (0.43) DAOLMNA
SCHEMBL6963004 0.85 MAOA (0.41) MAOAMAOBKCNH2PDE10ADAO
SCHEMBL6949662 0.83 GP6 (0.54) MAOAMAOBFFAR1
SCHEMBL14529213 0.83 TAAR1 (0.39) MAOBDAOTAAR1LMNATDP1
SCHEMBL6505461 0.83 NR1H2 (0.41) NISCHLMNA
SCHEMBL8408170 0.83 HTR1A (0.61) PTGER1PTGER4PTGER3PTGER2
SCHEMBL8320664 0.83 HTR1A (0.61) PTGER1PTGER4PTGER3PTGER2

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