SCHEMBL19856898

SCHEMBL19856898

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PYGL P06737 6/20 0.43
DRD2 P14416 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP51A1 Q16850 4/20 0.40
SMYD3 Q9H7B4 1/20 0.39
STAT6 P42226 1/20 0.38
DRD3 P35462 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 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
SCHEMBL19856896 1.00 PYGL (0.43) PYGLDRD2ALOX15CYP51A1SMYD3
SCHEMBL19856883 0.93 ALOX15 (0.42) PYGLDRD2ALOX15CYP51A1SMYD3
SCHEMBL19856882 0.93 ALOX15 (0.42) PYGLDRD2ALOX15CYP51A1SMYD3
SCHEMBL19856943 0.93 DRD2 (0.42) PYGLDRD2ALOX15CYP51A1STAT6
SCHEMBL19856942 0.93 DRD2 (0.42) PYGLDRD2ALOX15CYP51A1STAT6
SCHEMBL1549871 0.92 CYP51A1 (0.40) PYGLDRD2CYP51A1STAT6
SCHEMBL19856948 0.91 DRD2 (0.38) PYGLDRD2CYP51A1STAT6DRD3
SCHEMBL19856946 0.91 DRD2 (0.38) PYGLDRD2CYP51A1STAT6DRD3
SCHEMBL19856862 0.90 STAT6 (0.42) PYGLDRD2CYP51A1STAT6DRD3
SCHEMBL19856864 0.90 STAT6 (0.42) PYGLDRD2CYP51A1STAT6DRD3

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