SCHEMBL7943634

SCHEMBL7943634

COc1ccc(C(=O)N2CCCC3[C@H]2CN3C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 2/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP51A1 Q16850 2/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 3/20 0.41
AKR1C3 P42330 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
ADRB1 P08588 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDGFRB P09619 3/20 0.40
PDGFRA P16234 3/20 0.40
CCKBR P32239 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL7936426 0.94 STAT6 (0.50) STAT6CYP51A1DRD2AKR1C3CCKBR
SCHEMBL7934126 0.92 STAT6 (0.48) STAT6CYP51A1DRD2AKR1C3CCKBR
SCHEMBL7945427 0.91 STAT6 (0.45) STAT6CYP51A1DRD2AKR1C3CCKBR
SCHEMBL7941160 0.91 STAT6 (0.45) STAT6CYP51A1DRD2DRD3CCKBR
SCHEMBL14980442 0.89 STAT6 (0.48) STAT6CYP51A1DRD2AKR1C3CCKBR
SCHEMBL7934440 0.89 STAT6 (0.48) STAT6CYP51A1DRD2AKR1C3CCKBR
SCHEMBL7941165 0.89 STAT6 (0.46) STAT6NPC1RAB9ACYP51A1DRD2
SCHEMBL7941162 0.86 STAT6 (0.45) STAT6CYP51A1DRD2CCKBR
SCHEMBL19856950 0.85 NPC1 (0.47) STAT6NPC1RAB9ACYP51A1DRD2
SCHEMBL19856951 0.85 NPC1 (0.47) STAT6NPC1RAB9ACYP51A1DRD2

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
WO-2010011912-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed