SCHEMBL6957345

SCHEMBL6957345

c1ccc(CCCCCCCCCCCCCCCOc2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
FAAH O00519 2/20 0.42
MGLL Q99685 1/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC2 Q92769 8/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC6 Q9UBN7 6/20 0.42
GP6 Q9HCN6 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL6956745 1.00 NAAA (0.45) NAAAFAAHMGLLHDAC1HDAC2
SCHEMBL6962302 0.99 NAAA (0.43) NAAAFAAHMGLLHDAC1HDAC2
SCHEMBL6961454 0.91 GP6 (0.49) GP6MAOAMAOB
SCHEMBL6956913 0.86 NAAA (0.48) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL6961775 0.86 NAAA (0.48) NAAAHDAC1HDAC2HDAC8HDAC6
SCHEMBL6952118 0.86 IGF1R (0.38) FAAHMGLLHRH3MAOAMAOB
SCHEMBL6954931 0.86 IGF1R (0.38) FAAHMGLLHRH3MAOAMAOB
SCHEMBL6962103 0.85 FFAR1 (0.48) NAAAGP6
SCHEMBL6957851 0.84 IGF1R (0.39) FAAHMGLLHRH3MAOAMAOB
SCHEMBL6962658 0.84 TSHR (0.54)

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