SCHEMBL19856978

SCHEMBL19856978

COc1cc(C)ccc1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
STAT6 P42226 1/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 1/20 0.37
AKR1C3 P42330 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP51A1 Q16850 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 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
PDE4B Q07343 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL19856980 1.00 DRD2 (0.39) DRD2TAS1R3TAS1R1STAT6DRD4
SCHEMBL19856908 0.92 ALOX15 (0.40) DRD2TAS1R3TAS1R1STAT6DRD4
SCHEMBL19856959 0.92 ALOX15 (0.40) DRD2TAS1R3TAS1R1STAT6DRD4
SCHEMBL19856917 0.91 HCRTR1 (0.36) DRD2TAS1R3TAS1R1STAT6DRD4
SCHEMBL19856871 0.90 DRD2 (0.41) DRD2TAS1R3TAS1R1STAT6CYP51A1
SCHEMBL19856872 0.90 DRD2 (0.41) DRD2TAS1R3TAS1R1STAT6CYP51A1
SCHEMBL19856899 0.89 DRD2 (0.41) DRD2TAS1R3TAS1R1STAT6AKR1C3
SCHEMBL19856897 0.89 DRD2 (0.41) DRD2TAS1R3TAS1R1STAT6AKR1C3
SCHEMBL1549547 0.87 PDGFRB (0.46) DRD2STAT6AKR1C3NPC1RAB9A
SCHEMBL1549906 0.87 DRD2 (0.42) DRD2TAS1R3TAS1R1STAT6AKR1C3

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