SCHEMBL19856954

SCHEMBL19856954

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.42
PYGL P06737 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CYP51A1 Q16850 2/20 0.39
STAT6 P42226 1/20 0.39
DRD3 P35462 7/20 0.39
DRD4 P21917 6/20 0.39
HTR1A P08908 4/20 0.39
HTR2A P28223 2/20 0.39
DRD1 P21728 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2C P28335 1/20 0.39
CNR2 P34972 1/20 0.38
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL19856955 1.00 DRD2 (0.42) DRD2PYGLTAS1R3TAS1R1CYP51A1
SCHEMBL19856942 0.91 DRD2 (0.42) DRD2PYGLTAS1R3TAS1R1CYP51A1
SCHEMBL19856943 0.91 DRD2 (0.42) DRD2PYGLTAS1R3TAS1R1CYP51A1
SCHEMBL1549629 0.91 HRH4 (0.41) DRD2PYGLCYP51A1STAT6DRD3
SCHEMBL1931738 0.90 DRD2 (0.47) DRD2PYGLTAS1R3TAS1R1CYP51A1
SCHEMBL1931683 0.90 DRD2 (0.47) DRD2PYGLTAS1R3TAS1R1CYP51A1
SCHEMBL1931303 0.90 DRD2 (0.47) DRD2PYGLTAS1R3TAS1R1CYP51A1
SCHEMBL19856879 0.89 DRD2 (0.43) DRD2PYGLTAS1R3TAS1R1CYP51A1
SCHEMBL19856881 0.89 DRD2 (0.43) DRD2PYGLTAS1R3TAS1R1CYP51A1
SCHEMBL19856883 0.88 ALOX15 (0.42) DRD2PYGLCYP51A1STAT6DRD3

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