SCHEMBL6963013

SCHEMBL6963013

c1ccc(CCCCOc2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
NAAA Q02083 1/20 0.40
PDE5A O76074 6/20 0.38
PDE4A P27815 5/20 0.38
PDE4B Q07343 5/20 0.38
PDE4C Q08493 5/20 0.38
PDE4D Q08499 5/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
BRD4 O60885 1/20 0.36
GP6 Q9HCN6 1/20 0.36

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
SCHEMBL6960625 0.99 IDO1 (0.48) IDO1NAAAPDE5APDE4APDE4B
SCHEMBL6952842 0.99 IDO1 (0.48) IDO1NAAAPDE5APDE4APDE4B
SCHEMBL6953203 0.92 IDO1 (0.52) IDO1PDE5APDE4APDE4BPDE4C
SCHEMBL6960842 0.83 BRD4 (0.51) IDO1PDE5APDE4APDE4BPDE4C
SCHEMBL6959641 0.82 PDE5A (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6961933 0.82 PDE5A (0.54) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6957680 0.82 PDE5A (0.52) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6961624 0.80 PDE5A (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL6955797 0.79 BID (0.38) IDO1CYSLTR2CYSLTR1MAPT
SCHEMBL6961607 0.79 BID (0.38) IDO1CYSLTR2CYSLTR1MAPT

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