SCHEMBL18901677

SCHEMBL18901677

CC1COCCC1NC1CC[C@H](C(=O)N2CCN(c3cncc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.56
KCNH2 Q12809 2/20 0.56
CCR5 P51681 13/20 0.53
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
POLB P06746 1/20 0.41

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
SCHEMBL18901809 0.89 CCR2 (0.54) CCR2KCNH2CCR5PIK3CDPIK3CA
SCHEMBL18901614 0.88 CCR2 (0.67) CCR2CCR5POLB
SCHEMBL18901618 0.88 CCR2 (0.67) CCR2CCR5POLB
SCHEMBL18901839 0.83 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL18901568 0.83 CCR2 (0.46) CCR2KCNH2CCR5
SCHEMBL18901428 0.83 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL18901708 0.83 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL3324355 0.81 CCR2 (0.82) CCR2KCNH2CCR5
SCHEMBL13334960 0.81 CCR2 (0.82) CCR2KCNH2CCR5
SCHEMBL18901678 0.79 CCR2 (0.44) CCR2KCNH2PIK3CDPIK3CAPOLB

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