SCHEMBL19856919

SCHEMBL19856919

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP51A1 Q16850 1/20 0.43
DRD2 P14416 1/20 0.42
STAT6 P42226 1/20 0.40
PYGL P06737 2/20 0.40
CCKBR P32239 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
EGFR P00533 2/20 0.38
PIK3CA P42336 2/20 0.38
SLC6A7 Q99884 1/20 0.38
MMP2 P08253 1/20 0.38
MMP14 P50281 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
SCHEMBL19856921 1.00 CYP51A1 (0.43) CYP51A1DRD2STAT6PYGLCCKBR
SCHEMBL19856894 0.95 DRD2 (0.45) CYP51A1DRD2STAT6PYGLCCKBR
SCHEMBL19856892 0.95 DRD2 (0.45) CYP51A1DRD2STAT6PYGLCCKBR
SCHEMBL1931636 0.93 CYP51A1 (0.43) CYP51A1DRD2STAT6PYGLCCKBR
SCHEMBL19856881 0.92 DRD2 (0.43) CYP51A1DRD2STAT6PYGLTAS1R3
SCHEMBL19856879 0.92 DRD2 (0.43) CYP51A1DRD2STAT6PYGLTAS1R3
SCHEMBL19856870 0.92 DRD2 (0.43) CYP51A1DRD2STAT6PYGLCCKBR
SCHEMBL19856869 0.92 DRD2 (0.43) CYP51A1DRD2STAT6PYGLCCKBR
SCHEMBL19856861 0.91 STAT6 (0.45) CYP51A1DRD2STAT6PYGLCCKBR
SCHEMBL19856863 0.91 STAT6 (0.45) CYP51A1DRD2STAT6PYGLCCKBR

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