SCHEMBL18901575

SCHEMBL18901575

C=COCC(C)C(C)N[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C2CCOC2)C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.66
KCNH2 Q12809 8/20 0.54
CCR5 P51681 2/20 0.54

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
SCHEMBL3326641 0.82 CCR2 (0.74) CCR2KCNH2CCR5
SCHEMBL13335055 0.81 CCR2 (0.73) CCR2KCNH2CCR5
SCHEMBL3325858 0.80 CCR2 (0.83) CCR2KCNH2CCR5
SCHEMBL13335051 0.80 CCR2 (0.83) CCR2KCNH2CCR5
SCHEMBL13613481 0.80 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL4151276 0.80 CCR2 (1.00) CCR2KCNH2CCR5
SCHEMBL13335057 0.78 CCR2 (0.68) CCR2KCNH2CCR5
Hydrochloric Acid SCHEMBL3326233 0.78 CCR2 (0.68) CCR2KCNH2CCR5
SCHEMBL3359390 0.77 CCR2 (0.67) CCR2KCNH2CCR5
SCHEMBL4158814 0.75 CCR2 (0.65) CCR2KCNH2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed