SCHEMBL18901708

SCHEMBL18901708

CC1COCCC1N[C@@H]1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.57
KCNH2 Q12809 5/20 0.57
CCR5 P51681 2/20 0.55

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
SCHEMBL18901839 1.00 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL18901428 1.00 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL18901675 0.90 CCR2 (0.69) CCR2KCNH2CCR5
SCHEMBL18901568 0.87 CCR2 (0.46) CCR2KCNH2CCR5
SCHEMBL18901618 0.85 CCR2 (0.67) CCR2CCR5
SCHEMBL18901614 0.85 CCR2 (0.67) CCR2CCR5
SCHEMBL18901716 0.84 CCR2 (0.51) CCR2KCNH2CCR5
SCHEMBL18901623 0.83 CCR2 (0.55) CCR2KCNH2CCR5
SCHEMBL18901441 0.83 CCR2 (0.55) CCR2KCNH2CCR5
SCHEMBL18901677 0.83 CCR2 (0.56) 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