SCHEMBL19856899

SCHEMBL19856899

Cc1ccc(C)c(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
STAT6 P42226 1/20 0.38
CYP51A1 Q16850 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
CNR2 P34972 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CCR1 P32246 1/20 0.36
CCKAR P32238 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
PYGL P06737 1/20 0.35
AKR1C3 P42330 1/20 0.35
HTRA1 Q92743 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL19856897 1.00 DRD2 (0.41) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL19856871 0.91 DRD2 (0.41) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL19856872 0.91 DRD2 (0.41) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL1549906 0.90 DRD2 (0.42) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL1549547 0.90 PDGFRB (0.46) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL19856870 0.89 DRD2 (0.43) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL19856869 0.89 DRD2 (0.43) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL19856980 0.89 DRD2 (0.39) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL19856978 0.89 DRD2 (0.39) DRD2STAT6CYP51A1PDGFRBPDGFRA
SCHEMBL1931303 0.89 DRD2 (0.47) DRD2STAT6CYP51A1HRH4CNR2

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