SCHEMBL16474233

SCHEMBL16474233

CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](N)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
OPRD1 P41143 1/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE8B O95263 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL19652083 0.86 KDM1A (0.46) KDM1AOPRD1FPR3FPR2KMT2A
SCHEMBL3078179 0.85 KMT2A (0.45) KDM1AOPRD1FPR3FPR2MEN1
SCHEMBL19658763 0.84 KDM1A (0.45) KDM1AOPRD1FPR3FPR2KMT2A
SCHEMBL19652089 0.83 OPRD1 (0.48) KDM1AOPRD1FPR3FPR2KMT2A
SCHEMBL17753877 0.82 KDM1A (0.48) KDM1AOPRD1FPR3FPR2PDE8B
SCHEMBL7524501 0.81 KDM1A (0.46) KDM1AOPRD1FPR3FPR2PDE8B
SCHEMBL13853714 0.80 OPRD1 (0.51) KDM1AOPRD1FPR3FPR2PDE8B
SCHEMBL27353435 0.80 KDM1A (0.48) KDM1AOPRD1FPR3FPR2KMT2A
SCHEMBL1244838 0.79 KDM1A (0.50) KDM1AOPRD1FPR3FPR2PDE8B
SCHEMBL5654694 0.79 KDM1A (0.50) KDM1AOPRD1FPR3FPR2PDE8B

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-2312947-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2014-01-01 EP disclosed