SCHEMBL19856959

SCHEMBL19856959

COc1cc(Cl)ccc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
PYGL P06737 4/20 0.39
DRD4 P21917 4/20 0.39
DRD3 P35462 4/20 0.39
DRD2 P14416 3/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
HTR2C P28335 1/20 0.39
CYP51A1 Q16850 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
STAT6 P42226 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 1/20 0.37
SMYD3 Q9H7B4 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
SCHEMBL19856908 1.00 ALOX15 (0.40) ALOX15PYGLDRD4DRD3DRD2
SCHEMBL19856980 0.92 DRD2 (0.39) DRD4DRD3DRD2CYP51A1TAS1R3
SCHEMBL19856978 0.92 DRD2 (0.39) DRD4DRD3DRD2CYP51A1TAS1R3
SCHEMBL19856882 0.90 ALOX15 (0.42) ALOX15PYGLDRD3DRD2CYP51A1
SCHEMBL19856883 0.90 ALOX15 (0.42) ALOX15PYGLDRD3DRD2CYP51A1
SCHEMBL19856896 0.89 PYGL (0.43) ALOX15PYGLDRD3DRD2CYP51A1
SCHEMBL19856898 0.89 PYGL (0.43) ALOX15PYGLDRD3DRD2CYP51A1
SCHEMBL19856974 0.88 NPC1 (0.42) ALOX15DRD3DRD2CYP51A1TAS1R3
SCHEMBL1550025 0.87 PYGL (0.48) PYGLDRD2CYP51A1SMYD3
SCHEMBL19856942 0.87 DRD2 (0.42) ALOX15PYGLDRD4DRD3DRD2

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