SCHEMBL14011036

SCHEMBL14011036

CC1COCCC1NC1CC[C@@](C(=O)N2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)(C(C)C)C1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 20/20 0.69
▸ CCR5 P51681 14/20 0.69
▸ KCNH2 Q12809 4/20 0.57

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
SCHEMBL18259120 1.00 CCR2 (0.69) CCR2CCR5KCNH2
SCHEMBL3324993 1.00 CCR2 (0.69) CCR2CCR5KCNH2
SCHEMBL14011030 0.91 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL18259123 0.91 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL3325663 0.91 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL4299192 0.90 CCR2 (0.70) CCR2CCR5KCNH2
SCHEMBL3325086 0.88 CCR2 (0.71) CCR2CCR5KCNH2
SCHEMBL3326710 0.85 CCR2 (0.65) CCR2CCR5KCNH2
SCHEMBL3326045 0.82 CCR2 (0.79) CCR2CCR5KCNH2
SCHEMBL4944709 0.82 CCR2 (0.69) CCR2CCR5

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-7449467-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors PFIZER INC. (US) 2008-11-11 — — US disclosed
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