SCHEMBL15636937

SCHEMBL15636937

O=C(O)C[C@H](NC(=O)c1cc(O)n(-c2ccccc2F)n1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 14/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ MME P08473 2/20 0.53
▸ SUCNR1 Q9BXA5 2/20 0.46
▸ EGLN2 Q96KS0 2/20 0.45
▸ EGLN1 Q9GZT9 2/20 0.45
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGAV P06756 1/20 0.44

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
SCHEMBL15636874 0.91 CTSA (0.59) CTSACYP3A4MME
SCHEMBL15636981 0.91 SUCNR1 (0.45) CTSACYP3A4MMESUCNR1EGLN2
SCHEMBL15637544 0.89 SUCNR1 (0.51) CTSASUCNR1EGLN2EGLN1ITGB3
SCHEMBL15636410 0.88 SUCNR1 (0.51) CTSASUCNR1EGLN2EGLN1ITGB3
SCHEMBL15636731 0.88 SUCNR1 (0.51) CTSASUCNR1EGLN2EGLN1ITGB3
SCHEMBL15637065 0.87 CTSA (0.60) CTSACYP3A4MME
SCHEMBL15636998 0.87 SUCNR1 (0.48) CTSASUCNR1EGLN2EGLN1TP53
SCHEMBL15635786 0.86 CTSA (0.57) CTSACYP3A4MME
SCHEMBL15637074 0.85 CTSA (0.56) CTSACYP3A4MME
SCHEMBL15637535 0.85 SUCNR1 (0.48) CTSASUCNR1EGLN2EGLN1ITGB3

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-2014053533-A1 USE OF SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AS PHARMACEUTICALS FOR PREVENTION/TREATMENT OF ATRIAL FIBRILLATION SANOFI (FR) 2014-04-10 — — WO disclosed
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