SCHEMBL4839079

SCHEMBL4839079

CC(=O)Nc1cc(CN2CCC(CNC(=O)CNC(=O)c3cc(F)c(F)cc3NC(=O)OC(C)(C)C)CC2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.44
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 2/20 0.39
HTR4 Q13639 2/20 0.39
TP53 P04637 1/20 0.38
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
MAOB P27338 1/20 0.37
F10 P00742 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6205492 0.93 CCR2 (0.45) CCR2DRD2DRD4DRD3HTR4
SCHEMBL4848476 0.90 CCR2 (0.50) CCR2HTR4
SCHEMBL4850062 0.88 CCR2 (0.44) CCR2HTR4TP53ACHEMEN1
SCHEMBL4839145 0.88 CCR2 (0.57) CCR2HTR4TP53ACHEMEN1
SCHEMBL7620460 0.87 CCR2 (0.47) CCR2DRD2DRD4TP53MAOB
SCHEMBL4839073 0.85 ACKR3 (0.36) CCR2ACHEBACE1
SCHEMBL4843005 0.85 CCR2 (0.54) CCR2DRD2DRD4DRD3HTR4
SCHEMBL4846627 0.85 CCR2 (0.53) CCR2DRD2DRD4DRD3HTR4
SCHEMBL4848587 0.83 CCR2 (0.47) CCR2HTR4TP53ACHEMEN1
SCHEMBL4841023 0.80 CCR2 (0.61) CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed