SCHEMBL19856881

SCHEMBL19856881

CC(C)(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.43
CCR1 P32246 1/20 0.42
PYGL P06737 2/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALOX15 P16050 1/20 0.40
CYP51A1 Q16850 4/20 0.40
STAT6 P42226 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
DRD3 P35462 1/20 0.39
EGFR P00533 1/20 0.39
PIK3CA P42336 1/20 0.39
SMYD3 Q9H7B4 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
SCHEMBL19856879 1.00 DRD2 (0.43) DRD2CCR1PYGLMGAMGAA
SCHEMBL19856892 0.94 DRD2 (0.45) DRD2CCR1PYGLCYP51A1STAT6
SCHEMBL19856894 0.94 DRD2 (0.45) DRD2CCR1PYGLCYP51A1STAT6
SCHEMBL19856869 0.93 DRD2 (0.43) DRD2PYGLGAACYP51A1STAT6
SCHEMBL19856870 0.93 DRD2 (0.43) DRD2PYGLGAACYP51A1STAT6
SCHEMBL19856919 0.92 CYP51A1 (0.43) DRD2PYGLCYP51A1STAT6HRH4
SCHEMBL19856921 0.92 CYP51A1 (0.43) DRD2PYGLCYP51A1STAT6HRH4
SCHEMBL1931303 0.91 DRD2 (0.47) DRD2PYGLGAACYP51A1STAT6
SCHEMBL1931738 0.91 DRD2 (0.47) DRD2PYGLGAACYP51A1STAT6
SCHEMBL1931683 0.91 DRD2 (0.47) DRD2PYGLGAACYP51A1STAT6

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