SCHEMBL18901616

SCHEMBL18901616

CC1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC(N)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 17/20 0.60
KCNH2 Q12809 8/20 0.53
FFAR4 Q5NUL3 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
MAPT P10636 1/20 0.50
CCR5 P51681 2/20 0.49

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
SCHEMBL13334958 0.87 CCR2 (0.70) CCR2KCNH2FFAR4HRH3MAPT
SCHEMBL3025216 0.87 CCR2 (0.70) CCR2KCNH2FFAR4HRH3MAPT
SCHEMBL18901619 0.87 CCR2 (0.70) CCR2KCNH2FFAR4HRH3MAPT
Hydrochloric Acid SCHEMBL4276553 0.86 CCR2 (0.69) CCR2KCNH2FFAR4HRH3MAPT
Hydrochloric Acid SCHEMBL4153397 0.86 CCR2 (0.69) CCR2KCNH2FFAR4HRH3MAPT
SCHEMBL13335001 0.86 CCR2 (0.53) CCR2KCNH2FFAR4HRH3MAPT
SCHEMBL13335014 0.86 CCR2 (0.62) CCR2KCNH2FFAR4CCR5
Hydrochloric Acid SCHEMBL3326153 0.85 CCR2 (0.61) CCR2KCNH2FFAR4CCR5
Hydrochloric Acid SCHEMBL3324710 0.85 CCR2 (0.61) CCR2KCNH2FFAR4CCR5
Hydrochloric Acid SCHEMBL3327112 0.85 CCR2 (0.52) CCR2KCNH2FFAR4HRH3MAPT

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