SCHEMBL7987456

SCHEMBL7987456

O=C(O)c1cccc2c1OCCC2NCc1cncn1Cc1ccc(-c2cncs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 12/20 0.40
FNTB P49356 12/20 0.40
PGGT1B P53609 11/20 0.40
KCNH2 Q12809 10/20 0.40
CYP3A4 P08684 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
SCHEMBL7984772 0.91 FNTA (0.44) FNTAFNTBPGGT1BKCNH2
SCHEMBL16160963 0.89 KCNH2 (0.38) FNTAFNTBPGGT1BKCNH2
SCHEMBL16160926 0.85 FNTA (0.39) FNTAFNTBPGGT1BKCNH2
SCHEMBL8142440 0.84 FNTA (0.36) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL16160947 0.83 FNTA (0.36) FNTAFNTBPGGT1BKCNH2
SCHEMBL16160959 0.83 FNTA (0.36) FNTAFNTBPGGT1BKCNH2
SCHEMBL16160924 0.83 WDR5 (0.36) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL16160954 0.83 KCNH2 (0.37) FNTAFNTBPGGT1BKCNH2
SCHEMBL16160938 0.83 FNTA (0.36) FNTAFNTBPGGT1BKCNH2
SCHEMBL16160956 0.83 FNTA (0.35) FNTAFNTBPGGT1BKCNH2

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-2001009125-A1 NOVEL 8-CARBONYL CHROMAN DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF AVENTIS PHARMA S.A. (FR) 2001-02-08 WO disclosed