SCHEMBL7968423

SCHEMBL7968423

O=C(O)c1cccc2c1OCCN2Cc1cncn1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.49
FNTB P49356 12/20 0.49
PGGT1B P53609 11/20 0.44
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38

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
SCHEMBL7971101 0.91 FNTA (0.48) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971638 0.91 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7968966 0.90 FNTA (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971545 0.82 FNTA (0.47) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL16160199 0.80 FNTA (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7972164 0.77 ITGA4 (0.40) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7984772 0.76 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL16160236 0.75 FNTA (0.35) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7974147 0.74 FNTA (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7971118 0.74 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2

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