SCHEMBL18901633

SCHEMBL18901633

CC[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC[C@@H](N)CC1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.56
KCNH2 Q12809 8/20 0.51
CCR5 P51681 2/20 0.50
FFAR4 Q5NUL3 1/20 0.48

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
SCHEMBL13335014 0.91 CCR2 (0.62) CCR2KCNH2CCR5FFAR4
Hydrochloric Acid SCHEMBL3324710 0.90 CCR2 (0.61) CCR2KCNH2CCR5FFAR4
Hydrochloric Acid SCHEMBL3326153 0.90 CCR2 (0.61) CCR2KCNH2CCR5FFAR4
SCHEMBL13335046 0.83 CCR2 (0.65) CCR2KCNH2CCR5FFAR4
Hydrochloric Acid SCHEMBL3324367 0.82 CCR2 (0.64) CCR2KCNH2CCR5
SCHEMBL13335034 0.81 CCR2 (0.66) CCR2KCNH2CCR5FFAR4
SCHEMBL18901616 0.81 CCR2 (0.60) CCR2KCNH2CCR5FFAR4
Hydrochloric Acid SCHEMBL3324564 0.81 CCR2 (0.65) CCR2KCNH2CCR5FFAR4
SCHEMBL3025216 0.80 CCR2 (0.70) CCR2KCNH2CCR5FFAR4
SCHEMBL18901619 0.80 CCR2 (0.70) CCR2KCNH2CCR5FFAR4

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