SCHEMBL13627656

SCHEMBL13627656

CCC(CC(C(=O)N1CC=C(c2cc(C(F)(F)F)ccn2)CC1)C(C)C)NC1CCOCC1OC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 19/20 0.44
▸ KCNH2 Q12809 4/20 0.44
▸ CCR5 P51681 2/20 0.44
▸ CCR1 P32246 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL13627815 0.88 CCR2 (0.48) CCR2KCNH2CCR5CCR1TMEM97
SCHEMBL13628373 0.86 CCR2 (0.44) CCR2KCNH2CCR1TMEM97SIGMAR1
SCHEMBL13627813 0.83 CCR2 (0.36) CCR2KCNH2CCR5CCR1TMEM97
SCHEMBL13627581 0.83 NAMPT (0.39) KCNH2CCR1
SCHEMBL13627654 0.82 CCR2 (0.48) CCR2KCNH2CCR5
SCHEMBL13627676 0.79 CDK9 (0.37) —
SCHEMBL13627657 0.78 TRPV1 (0.38) —
SCHEMBL4141233 0.77 CCR2 (0.72) CCR2KCNH2CCR5CCR1TMEM97
SCHEMBL13741587 0.77 CCR2 (0.72) CCR2KCNH2CCR5CCR1TMEM97
SCHEMBL13627812 0.76 CCR2 (0.42) CCR2KCNH2CCR5CCR1TMEM97

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
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US disclosed
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