SCHEMBL4604160

SCHEMBL4604160

N#Cc1cccc(OCCc2ccccc2)c1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
PGGT1B P53609 3/20 0.43
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
CYP19A1 P11511 3/20 0.41
AR P10275 3/20 0.41
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 1/20 0.38
IDO1 P14902 1/20 0.37

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
SCHEMBL6957296 0.83 FNTA (0.52) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL22784142 0.80 MAOB (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL28569048 0.76 POLB (0.49) ARALDH1A1
SCHEMBL5509413 0.75 HTR1A (0.42) ARMAOAALDH1A1
SCHEMBL7078940 0.74 FNTA (0.54) FNTAFNTBPGGT1BMAOAMAOB
SCHEMBL1154474 0.74 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL28285016 0.73 AR (0.40) AR
SCHEMBL31023997 0.73 AR (0.54) ARMAOAMAOB
SCHEMBL6960881 0.73 NAAA (0.56) FNTAFNTBPGGT1BMAOAMAOB
SCHEMBL6960554 0.73 NAAA (0.56) FNTAFNTBPGGT1BMAOAMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915338-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2008-04-30 EP disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 WO disclosed