SCHEMBL7972164

SCHEMBL7972164

Cc1ccc(Cn2cncc2CN2CCOc3c(C(=O)NC(Cc4ccc(Cl)cc4)C(=O)O)cccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 8/20 0.40
ITGB1 P05556 7/20 0.40
FNTA P49354 5/20 0.39
FNTB P49356 5/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ACE2 Q9BYF1 4/20 0.37
ACE P12821 3/20 0.37
ITGB7 P26010 4/20 0.37
GPR132 Q9UNW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL16160236 0.85 FNTA (0.35) ITGA4ITGB1FNTAFNTBCYP11B1
SCHEMBL17145867 0.83 FNTA (0.35) ITGA4ITGB1FNTAFNTBCYP11B1
SCHEMBL7971638 0.83 FNTA (0.47) FNTAFNTBCYP11B1CYP11B2MAPT
SCHEMBL7971101 0.82 FNTA (0.48) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7972160 0.77 ITGA4 (0.38) ITGA4ITGB1ITGB7GPR132ALDH1A1
SCHEMBL7968423 0.77 FNTA (0.49) FNTAFNTBCYP11B1CYP11B2
SCHEMBL8141634 0.75 FNTA (0.39) FNTAFNTBCYP11B1CYP11B2
SCHEMBL8141630 0.75 FNTA (0.39) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7968966 0.72 FNTA (0.44) FNTAFNTBCYP11B1CYP11B2
SCHEMBL16160199 0.71 FNTA (0.41) FNTAFNTBCYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed