SCHEMBL19856967

SCHEMBL19856967

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.44
DRD2 P14416 1/20 0.43
STAT6 P42226 1/20 0.42
FAAH O00519 1/20 0.42
HTRA1 Q92743 2/20 0.42
CYP51A1 Q16850 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
REN P00797 1/20 0.39
CNR2 P34972 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL19856968 1.00 CCKBR (0.44) CCKBRDRD2STAT6FAAHHTRA1
SCHEMBL19856900 0.91 DRD2 (0.42) CCKBRDRD2STAT6HTRA1CYP51A1
SCHEMBL19856884 0.91 DRD2 (0.42) CCKBRDRD2STAT6HTRA1CYP51A1
SCHEMBL19856886 0.91 DRD2 (0.42) CCKBRDRD2STAT6HTRA1CYP51A1
SCHEMBL19856885 0.91 DRD2 (0.42) CCKBRDRD2STAT6HTRA1CYP51A1
SCHEMBL7942248 0.91 DRD2 (0.42) CCKBRDRD2STAT6HTRA1CYP51A1
SCHEMBL1931303 0.87 DRD2 (0.47) DRD2STAT6CYP51A1KDM4ECNR2
SCHEMBL1931683 0.87 DRD2 (0.47) DRD2STAT6CYP51A1KDM4ECNR2
SCHEMBL1931738 0.87 DRD2 (0.47) DRD2STAT6CYP51A1KDM4ECNR2
SCHEMBL14964347 0.87 DRD2 (0.47) CCKBRDRD2STAT6CYP51A1KDM4E

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