SCHEMBL6962302

SCHEMBL6962302

c1ccc(CCCCOc2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
GP6 Q9HCN6 1/20 0.42
HDAC1 Q13547 4/20 0.41
HDAC2 Q92769 4/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
FFAR1 O14842 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39

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
SCHEMBL6957345 0.99 NAAA (0.45) NAAAGP6HDAC1HDAC2HDAC8
SCHEMBL6956745 0.99 NAAA (0.45) NAAAGP6HDAC1HDAC2HDAC8
SCHEMBL6961454 0.92 GP6 (0.49) GP6MAOAMAOBNR1H4FFAR1
SCHEMBL6962103 0.86 FFAR1 (0.48) NAAAGP6DRD2DRD4DRD3
SCHEMBL6957851 0.85 IGF1R (0.39) FAAHMGLLMAOAMAOB
SCHEMBL6956913 0.85 NAAA (0.48) NAAAGP6HDAC1HDAC2HDAC8
SCHEMBL6961775 0.85 NAAA (0.48) NAAAGP6HDAC1HDAC2HDAC8
SCHEMBL704303 0.84 MAOB (0.51) MAOAMAOB
SCHEMBL6952118 0.84 IGF1R (0.38) FAAHMGLLMAOAMAOB
SCHEMBL6954931 0.84 IGF1R (0.38) FAAHMGLLMAOAMAOB

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