SCHEMBL19856870

SCHEMBL19856870

Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
CYP51A1 Q16850 1/20 0.40
STAT6 P42226 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
EGFR P00533 2/20 0.39
PIK3CA P42336 2/20 0.39
CNR2 P34972 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
AKR1C3 P42330 2/20 0.37
PYGL P06737 1/20 0.37
CCKBR P32239 1/20 0.37
HTRA1 Q92743 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
SCHEMBL19856869 1.00 DRD2 (0.43) DRD2CYP51A1STAT6HRH4EGFR
SCHEMBL19856892 0.94 DRD2 (0.45) DRD2CYP51A1STAT6HRH4EGFR
SCHEMBL19856894 0.94 DRD2 (0.45) DRD2CYP51A1STAT6HRH4EGFR
SCHEMBL19856881 0.93 DRD2 (0.43) DRD2CYP51A1STAT6HRH4EGFR
SCHEMBL19856879 0.93 DRD2 (0.43) DRD2CYP51A1STAT6HRH4EGFR
SCHEMBL19856919 0.92 CYP51A1 (0.43) DRD2CYP51A1STAT6HRH4EGFR
SCHEMBL19856921 0.92 CYP51A1 (0.43) DRD2CYP51A1STAT6HRH4EGFR
SCHEMBL1931303 0.91 DRD2 (0.47) DRD2CYP51A1STAT6HRH4CNR2
SCHEMBL1931738 0.91 DRD2 (0.47) DRD2CYP51A1STAT6HRH4CNR2
SCHEMBL1931683 0.91 DRD2 (0.47) DRD2CYP51A1STAT6HRH4CNR2

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