SCHEMBL19856882

SCHEMBL19856882

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.42
PYGL P06737 6/20 0.41
DRD2 P14416 1/20 0.41
CYP51A1 Q16850 5/20 0.40
DRD3 P35462 2/20 0.40
SMYD3 Q9H7B4 1/20 0.39
STAT6 P42226 1/20 0.38
HRH4 Q9H3N8 1/20 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
SCHEMBL19856883 1.00 ALOX15 (0.42) ALOX15PYGLDRD2CYP51A1DRD3
SCHEMBL19856871 0.94 DRD2 (0.41) ALOX15PYGLDRD2CYP51A1SMYD3
SCHEMBL19856872 0.94 DRD2 (0.41) ALOX15PYGLDRD2CYP51A1SMYD3
SCHEMBL19856898 0.93 PYGL (0.43) ALOX15PYGLDRD2CYP51A1DRD3
SCHEMBL19856896 0.93 PYGL (0.43) ALOX15PYGLDRD2CYP51A1DRD3
SCHEMBL19856943 0.93 DRD2 (0.42) ALOX15PYGLDRD2CYP51A1DRD3
SCHEMBL19856942 0.93 DRD2 (0.42) ALOX15PYGLDRD2CYP51A1DRD3
SCHEMBL19856914 0.92 CYP51A1 (0.40) ALOX15PYGLDRD2CYP51A1STAT6
SCHEMBL19856916 0.92 CYP51A1 (0.40) ALOX15PYGLDRD2CYP51A1STAT6
SCHEMBL1550411 0.92 ALOX15 (0.48) ALOX15PYGLDRD2CYP51A1SMYD3

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
EP-2925857-B1 USE OF TRPV4 ANTAGONISTS TO AMELIORATE HYDROCEPHALUS AND RELATED MATERIALS AND METHODS UNIV INDIANA RES & TECH CORP (US) 2018-02-14 EP claimed