SCHEMBL19856861

SCHEMBL19856861

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.45
FLT3 P36888 1/20 0.41
DRD2 P14416 1/20 0.41
CYP51A1 Q16850 1/20 0.39
XDH P47989 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
PYGL P06737 1/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 2/20 0.37
EGFR P00533 2/20 0.37
PIK3CA P42336 2/20 0.37
CCKBR P32239 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
SCHEMBL19856863 1.00 STAT6 (0.45) STAT6FLT3DRD2CYP51A1XDH
SCHEMBL19856925 0.94 STAT6 (0.43) STAT6FLT3DRD2CYP51A1XDH
SCHEMBL19856924 0.94 STAT6 (0.43) STAT6FLT3DRD2CYP51A1XDH
SCHEMBL19856951 0.93 NPC1 (0.47) STAT6FLT3DRD2CYP51A1NPC1
SCHEMBL19856950 0.93 NPC1 (0.47) STAT6FLT3DRD2CYP51A1NPC1
SCHEMBL19856892 0.92 DRD2 (0.45) STAT6DRD2CYP51A1NPC1RAB9A
SCHEMBL19856894 0.92 DRD2 (0.45) STAT6DRD2CYP51A1NPC1RAB9A
SCHEMBL19856919 0.91 CYP51A1 (0.43) STAT6DRD2CYP51A1TAS1R3TAS1R1
SCHEMBL19856921 0.91 CYP51A1 (0.43) STAT6DRD2CYP51A1TAS1R3TAS1R1
SCHEMBL19856869 0.90 DRD2 (0.43) STAT6DRD2CYP51A1TAS1R3TAS1R1

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