SCHEMBL19856934

SCHEMBL19856934

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1CC2CC1CN2C(=O)CN(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.43
DRD2 P14416 1/20 0.42
CYP51A1 Q16850 1/20 0.41
PYGL P06737 2/20 0.40
CCKBR P32239 4/20 0.40
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19856987 0.95 STAT6 (0.41) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL14964347 0.85 DRD2 (0.47) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL19856906 0.85 DRD2 (0.45) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL1931683 0.84 DRD2 (0.47) STAT6DRD2CYP51A1PYGLTAS1R3
SCHEMBL1931303 0.84 DRD2 (0.47) STAT6DRD2CYP51A1PYGLTAS1R3
SCHEMBL1931738 0.84 DRD2 (0.47) STAT6DRD2CYP51A1PYGLTAS1R3
SCHEMBL19856892 0.83 DRD2 (0.45) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL19856894 0.83 DRD2 (0.45) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL1550621 0.82 DRD2 (0.42) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL8000170 0.81 DRD2 (0.46) STAT6DRD2CYP51A1PYGLCCKBR

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