SCHEMBL7934451

SCHEMBL7934451

CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)[C@@H](NC(=O)OCC1C=CC=CC1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
OPRD1 P41143 1/20 0.36
ATM Q13315 2/20 0.35
AHCY P23526 1/20 0.33
METTL3 Q86U44 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRMT5 O14744 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
PDE8B O95263 1/20 0.32

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
SCHEMBL16474289 0.79 PRMT5 (0.47) KDM1AOPRD1ATMPRMT5
SCHEMBL19652083 0.73 KDM1A (0.46) KDM1AFPR3FPR2OPRD1SMN1; SMN2
SCHEMBL16474233 0.72 KDM1A (0.44) KDM1AFPR3FPR2OPRD1SMN1; SMN2
SCHEMBL19658763 0.71 KDM1A (0.45) KDM1AFPR3FPR2OPRD1AHCY
SCHEMBL19652089 0.70 OPRD1 (0.48) KDM1AFPR3FPR2OPRD1SMN1; SMN2
SCHEMBL17753877 0.69 KDM1A (0.48) KDM1AFPR3FPR2OPRD1ATM
SCHEMBL2452730 0.69 OPRD1 (0.47) KDM1AFPR3FPR2OPRD1SMN1; SMN2
SCHEMBL3078179 0.68 KMT2A (0.45) KDM1AFPR3FPR2OPRD1SMN1; SMN2
SCHEMBL13853714 0.68 OPRD1 (0.51) KDM1AFPR3FPR2OPRD1ATM
SCHEMBL27353435 0.67 KDM1A (0.48) KDM1AFPR3FPR2OPRD1ATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010011912-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed