SCHEMBL7346173

SCHEMBL7346173

CCCCn1cc(C(=O)C(F)(F)F)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
IDO1 P14902 1/20 0.64
HTT P42858 1/20 0.63
CNR2 P34972 13/20 0.63
CNR1 P21554 8/20 0.63
S1PR1 P21453 1/20 0.60

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
SCHEMBL29051451 0.87 KDM4E (0.74) KDM4EIDO1HTTCNR2S1PR1
SCHEMBL5444289 0.84 CHRM1 (0.51) KDM4EIDO1HTTCNR2CNR1
SCHEMBL2039750 0.83 KDM4E (0.61) KDM4EIDO1HTTCNR2CNR1
SCHEMBL7347589 0.83 CNR2 (0.69) KDM4ECNR2CNR1
SCHEMBL2643685 0.82 IDO1 (0.48) KDM4EIDO1HTTCNR2CNR1
SCHEMBL2186845 0.81 KDM4E (0.74) KDM4EIDO1HTTCNR2CNR1
SCHEMBL3350909 0.81 KDM4E (0.46) KDM4EIDO1HTTCNR2CNR1
SCHEMBL14411123 0.81 KDM4E (0.49) KDM4EIDO1HTTCNR2CNR1
SCHEMBL176994 0.80 S1PR1 (0.75) KDM4EIDO1HTTCNR2CNR1
SCHEMBL2187242 0.80 KDM4E (0.72) KDM4EIDO1HTTS1PR1

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-0760815-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1997-03-12 EP disclosed
US-5527918-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1996-06-18 US disclosed
WO-1995032962-A1 PROCESSES FOR PREPARING 1-BUTYL-2-[2'-(2H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-1H-INDOLE-3-CARBOXYLIC ACID SYNTEX (U.S.A.) INC. (US) 1995-12-07 WO disclosed
US-5446121-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-08-29 US disclosed
US-5412102-A Processes for preparing 1-butyl-2-[2'-(2H-tetrazol-5-yl) biphenyl-4-ylmethyl]-1H-indole-3-carboxylic acid SYNTEX (U.S.A.) INC. (US) 1995-05-02 US disclosed