SCHEMBL4845872

SCHEMBL4845872

Nc1cc(CN2CCC(C(N)C(=O)CNC(=O)c3cc(F)c(F)cc3N)CC2)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 12/20 0.51
HTR4 Q13639 2/20 0.45
KMT2A Q03164 3/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2C9 P11712 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL27558620 0.89 CCR2 (0.51) CCR2HTR4KMT2AKDM4EALDH1A1
SCHEMBL6205458 0.87 CCR2 (0.53) CCR2HTR4CCR3CYP1A2CYP3A4
SCHEMBL28747138 0.86 CCR2 (0.54) CCR2
SCHEMBL4846624 0.85 CCR2 (0.43) CCR2HTR4KMT2AHRH1CCR3
SCHEMBL27579111 0.84 EGFR (0.42) CCR2HTR4KMT2AMEN1LMNA
SCHEMBL27560885 0.84 CCR2 (0.42) CCR2HTR4KMT2AKDM4EALDH1A1
SCHEMBL4842990 0.83 CCR2 (0.41) CCR2HTR4KMT2AALDH1A1
SCHEMBL4845881 0.83 CCR2 (0.63) CCR2HTR4KMT2ADRD3
SCHEMBL27560880 0.78 CCR2 (0.38) CCR2KMT2AMEN1ALDH1A1
SCHEMBL4846704 0.78 CCR2 (0.66) 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 9 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
CN-1384743-A Remedies or preventives for diseases in association with chemokines TEIJIN LTD (JP) 2002-12-11 CN disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US 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