SCHEMBL19856900

SCHEMBL19856900

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
STAT6 P42226 1/20 0.41
CYP51A1 Q16850 1/20 0.40
CCKBR P32239 1/20 0.38
CNR2 P34972 1/20 0.37
HTRA1 Q92743 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
PYGL P06737 1/20 0.36
AKR1C3 P42330 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRNA7 P36544 1/20 0.35
HTR3A P46098 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
SCHEMBL19856886 1.00 DRD2 (0.42) DRD2STAT6CYP51A1CCKBRCNR2
SCHEMBL7942248 1.00 DRD2 (0.42) DRD2STAT6CYP51A1CCKBRCNR2
SCHEMBL19856884 1.00 DRD2 (0.42) DRD2STAT6CYP51A1CCKBRCNR2
SCHEMBL19856885 1.00 DRD2 (0.42) DRD2STAT6CYP51A1CCKBRCNR2
SCHEMBL19856968 0.91 CCKBR (0.44) DRD2STAT6CYP51A1CCKBRCNR2
SCHEMBL19856967 0.91 CCKBR (0.44) DRD2STAT6CYP51A1CCKBRCNR2
SCHEMBL19856893 0.87 CCR1 (0.47) DRD2STAT6CYP51A1HTRA1GAA
SCHEMBL19856891 0.87 CCR1 (0.47) DRD2STAT6CYP51A1HTRA1GAA
SCHEMBL7942245 0.87 CCR1 (0.47) DRD2STAT6CYP51A1HTRA1GAA
SCHEMBL1931303 0.86 DRD2 (0.47) DRD2STAT6CYP51A1CNR2TAS1R3

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