SCHEMBL6961580

SCHEMBL6961580

COCCCCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.36
AGTR1 P30556 4/20 0.35
AGTR2 P50052 4/20 0.35
HSD11B1 P28845 4/20 0.34
CMKLR1 Q99788 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MLNR O43193 1/20 0.33

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
SCHEMBL6956942 0.99 GP6 (0.36) GP6AGTR1AGTR2HSD11B1CMKLR1
SCHEMBL6961186 0.96 GP6 (0.37) GP6AGTR1AGTR2HSD11B1CMKLR1
SCHEMBL6956454 0.91 GP6 (0.41) GP6AGTR1AGTR2CMKLR1
SCHEMBL6957300 0.85 HSD11B1 (0.47) AGTR1AGTR2HSD11B1
SCHEMBL6949197 0.85 HSD11B1 (0.47) AGTR1AGTR2HSD11B1
SCHEMBL6955372 0.84 L3MBTL1 (0.57) GP6TDP1L3MBTL1
SCHEMBL6961113 0.84 L3MBTL1 (0.47) GP6TDP1L3MBTL1
SCHEMBL6960893 0.84 CA2 (0.35) GP6AGTR1AGTR2HSD11B1
SCHEMBL6953051 0.84 HSD11B1 (0.47) AGTR1AGTR2HSD11B1
SCHEMBL6956490 0.84 L3MBTL1 (0.59) GP6TDP1L3MBTL1

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