SCHEMBL19856874

SCHEMBL19856874

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 4/20 0.38
DRD2 P14416 1/20 0.38
HTRA1 Q92743 1/20 0.37
CYP51A1 Q16850 3/20 0.37
ALOX15 P16050 1/20 0.37
DRD3 P35462 2/20 0.37
UGCG Q16739 4/20 0.37
CYP3A4 P08684 3/20 0.37
SMYD3 Q9H7B4 1/20 0.36
STAT6 P42226 1/20 0.36
IDO1 P14902 1/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL19856873 1.00 PYGL (0.38) PYGLDRD2HTRA1CYP51A1ALOX15
SCHEMBL7942666 0.87 STAT6 (0.42) PYGLCYP51A1ALOX15DRD3UGCG
SCHEMBL19856883 0.86 ALOX15 (0.42) PYGLDRD2CYP51A1ALOX15DRD3
SCHEMBL19856882 0.86 ALOX15 (0.42) PYGLDRD2CYP51A1ALOX15DRD3
SCHEMBL19856898 0.84 PYGL (0.43) PYGLDRD2CYP51A1ALOX15DRD3
SCHEMBL19856896 0.84 PYGL (0.43) PYGLDRD2CYP51A1ALOX15DRD3
SCHEMBL1550411 0.84 ALOX15 (0.48) PYGLDRD2CYP51A1ALOX15SMYD3
SCHEMBL1550025 0.84 PYGL (0.48) PYGLDRD2CYP51A1SMYD3
SCHEMBL19856879 0.83 DRD2 (0.43) PYGLDRD2CYP51A1ALOX15DRD3
SCHEMBL19856881 0.83 DRD2 (0.43) PYGLDRD2CYP51A1ALOX15DRD3

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