SCHEMBL19856974

SCHEMBL19856974

COc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PDGFRB P09619 3/20 0.41
FLT3 P36888 3/20 0.41
PDGFRA P16234 2/20 0.41
DRD3 P35462 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
STAT6 P42226 1/20 0.40
CYP51A1 Q16850 1/20 0.39
DRD2 P14416 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL19856883 0.91 ALOX15 (0.42) DRD3STAT6CYP51A1DRD2ALOX15
SCHEMBL19856882 0.91 ALOX15 (0.42) DRD3STAT6CYP51A1DRD2ALOX15
SCHEMBL19856871 0.91 DRD2 (0.41) PDGFRBPDGFRASTAT6CYP51A1DRD2
SCHEMBL19856872 0.91 DRD2 (0.41) PDGFRBPDGFRASTAT6CYP51A1DRD2
SCHEMBL1549612 0.91 PDGFRB (0.48) NPC1RAB9APDGFRBFLT3PDGFRA
SCHEMBL19856942 0.90 DRD2 (0.42) PDGFRBPDGFRADRD3STAT6CYP51A1
SCHEMBL19856943 0.90 DRD2 (0.42) PDGFRBPDGFRADRD3STAT6CYP51A1
SCHEMBL1550637 0.89 PDGFRB (0.48) NPC1RAB9APDGFRBFLT3PDGFRA
SCHEMBL19856916 0.88 CYP51A1 (0.40) STAT6CYP51A1DRD2TAS1R3TAS1R1
SCHEMBL19856914 0.88 CYP51A1 (0.40) STAT6CYP51A1DRD2TAS1R3TAS1R1

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