SCHEMBL5766928

SCHEMBL5766928

CCC[C@@H]1C[C@H](NCC(C)C)CC[C@@H]1N1CC[C@H](NC(=O)Nc2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 14/20 0.51
CCR5 P51681 6/20 0.51
KCNH2 Q12809 4/20 0.51
UBE2M P61081 3/20 0.49
DCUN1D1 Q96GG9 3/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EPHX2 P34913 3/20 0.48
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL4416862 0.87 CCR2 (0.64) CCR2CCR5KCNH2
SCHEMBL3733740 0.86 CCR2 (0.68) CCR2CCR5KCNH2CHRM2CHRM4
SCHEMBL3733738 0.86 CCR2 (0.68) CCR2CCR5KCNH2CHRM2CHRM4
SCHEMBL3733734 0.86 CCR2 (0.68) CCR2CCR5KCNH2CHRM2CHRM4
SCHEMBL4427345 0.84 CCR2 (0.55) CCR2CCR5KCNH2
SCHEMBL5767886 0.81 CCR2 (0.61) CCR2CCR5KCNH2
SCHEMBL5767261 0.78 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL5769129 0.77 CCR2 (0.63) CCR2CCR5KCNH2MEN1KMT2A
SCHEMBL5768595 0.75 CCR2 (0.61) CCR2CCR5KCNH2MEN1KMT2A
SCHEMBL5770110 0.75 CCR2 (0.61) CCR2CCR5KCNH2MEN1KMT2A

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
EP-1656345-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2006-05-17 EP disclosed
WO-2005021500-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2005-03-10 WO disclosed