SCHEMBL3944129

SCHEMBL3944129

CCC(C)C(N)C(=O)N1CCC(C(=O)O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TET3 O43151 2/20 0.53
KMT2A Q03164 2/20 0.53
FBXL19 Q6PCT2 2/20 0.53
CXXC5 Q7LFL8 2/20 0.53
KDM2B Q8NHM5 2/20 0.53
CXXC4 Q9H2H0 2/20 0.53
KDM2A Q9Y2K7 2/20 0.53
DPP7 Q9UHL4 11/20 0.47
DPP8 Q6V1X1 9/20 0.47
DPP9 Q86TI2 8/20 0.47
DPP4 P27487 8/20 0.47
OPRM1 P35372 1/20 0.43
TET1 Q8NFU7 1/20 0.42
CCR1 P32246 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
SCHEMBL3945170 0.91 TET3 (0.51) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL3944992 0.80 CCR1 (0.66) CCR1
SCHEMBL10291591 0.79 CCR1 (0.64) CCR1
SCHEMBL3945164 0.77 OPRM1 (0.64) OPRM1CCR1
Trifluoroacetic Acid SCHEMBL2159087 0.75 CCR1 (0.57) CCR1
SCHEMBL2159166 0.75 OPRM1 (0.46) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL2159164 0.75 OPRM1 (0.46) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL3931269 0.75 KMT2A (0.71) TET3KMT2AFBXL19CXXC5KDM2B
SCHEMBL10292085 0.75 CCR1 (0.64) DPP7DPP8DPP9DPP4CCR1
SCHEMBL10291726 0.75 CCR1 (0.64) DPP7DPP8DPP9DPP4CCR1

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-2049486-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2009-04-22 EP disclosed
WO-2007092681-A2 PIPERIDINYL DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed