SCHEMBL19856987

SCHEMBL19856987

Cc1ccc(N(CC(=O)N2CC3CC2CN3C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.41
DRD2 P14416 1/20 0.40
CYP51A1 Q16850 1/20 0.39
PYGL P06737 2/20 0.38
CCKBR P32239 4/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
PDK1 Q15118 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
SCHEMBL19856934 0.95 STAT6 (0.43) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL19856906 0.84 DRD2 (0.45) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL19856870 0.83 DRD2 (0.43) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL19856869 0.83 DRD2 (0.43) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL14964347 0.83 DRD2 (0.47) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL1549906 0.82 DRD2 (0.42) STAT6DRD2CYP51A1TAS1R3TAS1R1
SCHEMBL4051134 0.82 DRD2 (0.38) STAT6DRD2CYP51A1PYGLCCKBR
SCHEMBL4053233 0.81 STAT6 (0.40) STAT6DRD2CYP51A1TAS1R3TAS1R1
SCHEMBL1931738 0.81 DRD2 (0.47) STAT6DRD2CYP51A1PYGLTAS1R3
SCHEMBL1931303 0.81 DRD2 (0.47) STAT6DRD2CYP51A1PYGLTAS1R3

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