SCHEMBL19856891

SCHEMBL19856891

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(c2ccc(Cl)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 7/20 0.47
PYGL P06737 2/20 0.39
DRD2 P14416 2/20 0.38
STAT6 P42226 1/20 0.38
CYP51A1 Q16850 4/20 0.38
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTRA1 Q92743 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL19856893 1.00 CCR1 (0.47) CCR1PYGLDRD2STAT6CYP51A1
SCHEMBL7942245 1.00 CCR1 (0.47) CCR1PYGLDRD2STAT6CYP51A1
SCHEMBL7942248 0.87 DRD2 (0.42) PYGLDRD2STAT6CYP51A1GAA
SCHEMBL19856884 0.87 DRD2 (0.42) PYGLDRD2STAT6CYP51A1GAA
SCHEMBL19856886 0.87 DRD2 (0.42) PYGLDRD2STAT6CYP51A1GAA
SCHEMBL19856885 0.87 DRD2 (0.42) PYGLDRD2STAT6CYP51A1GAA
SCHEMBL19856900 0.87 DRD2 (0.42) PYGLDRD2STAT6CYP51A1GAA
SCHEMBL19856968 0.87 CCKBR (0.44) DRD2STAT6CYP51A1HTRA1
SCHEMBL19856967 0.87 CCKBR (0.44) DRD2STAT6CYP51A1HTRA1
SCHEMBL19856881 0.85 DRD2 (0.43) CCR1PYGLDRD2STAT6CYP51A1

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