SCHEMBL4842990

SCHEMBL4842990

CC(=O)Nc1cc(CN2CCC(C(N)C(=O)CNC(=O)c3cc(F)c(F)cc3N)CC2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.41
HDAC1 Q13547 2/20 0.38
HTR4 Q13639 2/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4839073 0.86 ACKR3 (0.36) CCR2HDAC1ALDH1A1
SCHEMBL27558620 0.85 CCR2 (0.51) CCR2HTR4ALDH1A1KMT2A
SCHEMBL4843005 0.85 CCR2 (0.54) CCR2HDAC1HTR4
SCHEMBL4845872 0.83 CCR2 (0.51) CCR2HTR4ALDH1A1KMT2A
SCHEMBL6205458 0.83 CCR2 (0.53) CCR2HTR4ALDH1A1
SCHEMBL27579111 0.82 EGFR (0.42) CCR2HTR4ALDH1A1EGFRKMT2A
SCHEMBL27560885 0.81 CCR2 (0.42) CCR2HTR4ALDH1A1KMT2A
SCHEMBL4848472 0.80 CCR2 (0.43) CCR2HDAC1HTR4ALDH1A1
SCHEMBL28747138 0.79 CCR2 (0.54) CCR2
SCHEMBL27560880 0.78 CCR2 (0.38) CCR2ALDH1A1KMT2A

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 8 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-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