SCHEMBL13627811

SCHEMBL13627811

CCC(CC(C(=O)N1CCC(O)(c2ccccc2)CC1)C(C)C)NC1CCOCC1OC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.38
▸ CCR1 P32246 7/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HCRTR2 O43614 1/20 0.37
▸ CCR5 P51681 3/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ FNTA P49354 1/20 0.34
▸ PGGT1B P53609 1/20 0.34

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
SCHEMBL13627812 0.91 CCR2 (0.42) CCR2CCR1CCR5KCNH2
SCHEMBL13627585 0.89 CCR2 (0.47) CCR2CCR5OPRM1OPRK1OPRL1
SCHEMBL13627651 0.87 CCR2 (0.39) CCR2CCR5KCNH2
SCHEMBL13627581 0.81 NAMPT (0.39) CCR1ALDH1A1KCNH2
SCHEMBL13627813 0.75 CCR2 (0.36) CCR2CCR1CCR5KCNH2
SCHEMBL13627810 0.74 CCR1 (0.46) CCR1
SCHEMBL13741551 0.73 CCR2 (0.64) CCR2CCR1CCR5KCNH2
SCHEMBL4141218 0.73 CCR2 (0.64) CCR2CCR1CCR5KCNH2
SCHEMBL6015055 0.73 CCR2 (0.64) CCR2CCR1CCR5KCNH2
SCHEMBL13628365 0.73 CCR1 (0.47) CCR1OPRM1OPRK1OPRL1FNTA

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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