SCHEMBL19856918

SCHEMBL19856918

Cn1c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)cc2cc(C(=O)O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.39
DRD2 P14416 1/20 0.38
PHGDH O43175 2/20 0.37
CYP51A1 Q16850 1/20 0.37
PYGL P06737 2/20 0.35
PLD1 Q13393 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CCKBR P32239 3/20 0.34
EGFR P00533 2/20 0.34
PIK3CA P42336 2/20 0.34
PLD2 O14939 1/20 0.34

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
SCHEMBL1550213 0.91 DRD2 (0.42) STAT6DRD2CYP51A1PYGLPLD1
SCHEMBL2640155 0.89 STAT6 (0.43) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL19856892 0.85 DRD2 (0.45) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL19856894 0.85 DRD2 (0.45) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL1931738 0.84 DRD2 (0.47) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL1931683 0.84 DRD2 (0.47) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL1931303 0.84 DRD2 (0.47) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL19856919 0.84 CYP51A1 (0.43) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL19856921 0.84 CYP51A1 (0.43) STAT6DRD2CYP51A1PYGLHRH4
SCHEMBL19856870 0.83 DRD2 (0.43) STAT6DRD2CYP51A1PYGLHRH4

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