SCHEMBL6962835

SCHEMBL6962835

CCCc1ccccc1-c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 5/20 0.33
ADRA2C P18825 5/20 0.33
ADRA2A P08913 4/20 0.33
HTR1A P08908 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
PPARA Q07869 1/20 0.32
PDE5A O76074 1/20 0.32
HPGD P15428 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL6962603 0.90 NR1H2 (0.36)
SCHEMBL6957954 0.88 LIPG (0.44)
SCHEMBL27262019 0.88 LIPG (0.44)
SCHEMBL6961906 0.88 LIPG (0.44)
SCHEMBL6956747 0.86 TRPA1 (0.41) TRPA1
SCHEMBL7421392 0.83 ATR (0.34) HPGD
SCHEMBL6955545 0.82 IDO1 (0.48) HTR1APPARA
SCHEMBL23014684 0.81 NR1H2 (0.41) PPARA
SCHEMBL6919819 0.81 DPP4 (0.47)
SCHEMBL13932720 0.79 KCNN4 (0.38)

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