SCHEMBL4054992

SCHEMBL4054992

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCCC(=O)c2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 6/20 0.59
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRL1 P41146 2/20 0.42
SIGMAR1 Q99720 1/20 0.42
KCNH2 Q12809 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL4049689 0.91 KMT2A (0.53) CCR2KMT2AMEN1OPRM1OPRL1
SCHEMBL4056032 0.90 CCR2 (0.46) CCR2LMNAKMT2AMEN1OPRM1
SCHEMBL4048586 0.89 CCR2 (0.49) CCR2HPGDKMT2AMEN1POLB
SCHEMBL206079 0.86 OPRM1 (0.54) OPRM1OPRL1SIGMAR1EPHX2
SCHEMBL2986952 0.85 MEN1 (0.47) CCR2LMNAKMT2AMEN1OPRM1
SCHEMBL4049886 0.85 MAPT (0.45) CCR2HPGDLMNAKMT2AMEN1
SCHEMBL4048631 0.85 KMT2A (0.51) CCR2KMT2AMEN1POLBOPRM1
SCHEMBL2989386 0.85 LMNA (0.45) CCR2HPGDLMNAPOLB
SCHEMBL16143615 0.84 ACKR3 (0.48) LMNAKMT2AMEN1
SCHEMBL4045470 0.84 ACKR3 (0.48) LMNAKMT2AMEN1

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
US-7476763-B2 Oxo-substituted cyclohexyl-1,4-diamine compounds GRUENENTHAL GMBH (DE) 2009-01-13 US disclosed