SCHEMBL4848472

SCHEMBL4848472

CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1C(=O)NCC(=O)C(N)C1CCN(Cc2ccc(O)c(N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.43
ACKR3 P25106 3/20 0.36
ACHE P22303 2/20 0.36
BACE1 P56817 2/20 0.36
HTR4 Q13639 2/20 0.36
HDAC1 Q13547 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4846624 0.92 CCR2 (0.43) CCR2ACHEHTR4HDAC1ALDH1A1
SCHEMBL4839073 0.91 ACKR3 (0.36) CCR2ACKR3ACHEBACE1HDAC1
SCHEMBL28747139 0.89 CCR2 (0.36) CCR2ACKR3ACHEBACE1ALDH1A1
SCHEMBL4841007 0.89 CCR2 (0.53) CCR2
SCHEMBL4848476 0.86 CCR2 (0.50) CCR2HTR4HDAC1
SCHEMBL4842990 0.80 CCR2 (0.41) CCR2HTR4HDAC1ALDH1A1
SCHEMBL4841072 0.79 CCR2 (0.38) CCR2HDAC1
SCHEMBL6205458 0.79 CCR2 (0.53) CCR2ACHEHTR4ALDH1A1
SCHEMBL4846627 0.78 CCR2 (0.53) CCR2HTR4HDAC1
SCHEMBL27558620 0.78 CCR2 (0.51) CCR2HTR4ALDH1A1

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