SCHEMBL7945487

SCHEMBL7945487

O=C(N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2CC1CN2C(=O)c1nc2ccccc2[nH]1)c1cc2cccc(F)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALB P02768 5/20 0.46
IL2 P60568 5/20 0.46
CYP51A1 Q16850 4/20 0.45
PYGL P06737 4/20 0.43

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
SCHEMBL1549474 1.00 ALB (0.46) ALBIL2CYP51A1PYGL
SCHEMBL1550108 0.90 TAS1R3 (0.42) ALBIL2
SCHEMBL1550458 0.90 CYP51A1 (0.56) ALBIL2CYP51A1PYGL
SCHEMBL1550110 0.87 CYP51A1 (0.58) ALBIL2CYP51A1PYGL
SCHEMBL7940473 0.87 CYP51A1 (0.58) ALBIL2CYP51A1PYGL
SCHEMBL1549842 0.86 HRH4 (0.41) ALBIL2
SCHEMBL1550586 0.86 HRH4 (0.41) ALBIL2
SCHEMBL1549900 0.85 HRH4 (0.39) ALBIL2
SCHEMBL19856995 0.84 CYP51A1 (0.50) CYP51A1PYGL
SCHEMBL19856996 0.84 CYP51A1 (0.50) CYP51A1PYGL

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-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed