SCHEMBL19856920

SCHEMBL19856920

COC(=O)c1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@H]3CN4C(=O)C(NC(=O)c3cc4ccccc4[nH]3)C(C)(C)C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.43
PYGM P11217 1/20 0.43
STAT6 P42226 1/20 0.42
DRD2 P14416 1/20 0.40
AKR1C3 P42330 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
CYP51A1 Q16850 1/20 0.37
PDGFRB P09619 2/20 0.37
PDGFRA P16234 2/20 0.37
FGFR1 P11362 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
EGFR P00533 1/20 0.36
PIK3CA P42336 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CNR2 P34972 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
SCHEMBL1549626 1.00 PYGL (0.43) PYGLPYGMSTAT6DRD2AKR1C3
SCHEMBL2640155 0.92 STAT6 (0.43) PYGLSTAT6DRD2AKR1C3HRH4
SCHEMBL1931303 0.91 DRD2 (0.47) PYGLSTAT6DRD2AKR1C3TAS1R3
SCHEMBL1931683 0.91 DRD2 (0.47) PYGLSTAT6DRD2AKR1C3TAS1R3
SCHEMBL1931738 0.91 DRD2 (0.47) PYGLSTAT6DRD2AKR1C3TAS1R3
SCHEMBL1550637 0.89 PDGFRB (0.48) PYGLPYGMSTAT6AKR1C3HRH4
SCHEMBL1550025 0.88 PYGL (0.48) PYGLDRD2HRH4CYP51A1EGFR
SCHEMBL1549547 0.88 PDGFRB (0.46) PYGLPYGMSTAT6DRD2AKR1C3
SCHEMBL1550160 0.88 FLT3 (0.45) PYGLPYGMSTAT6DRD2HRH4
SCHEMBL19856951 0.87 NPC1 (0.47) STAT6DRD2AKR1C3TAS1R3TAS1R1

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