SCHEMBL13627581

SCHEMBL13627581

CCC(CC(C(=O)N1CC=C(c2ccccc2)CC1)C(C)C)NC1CCOCC1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ADAM10 O14672 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP3 P08254 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ ADAM8 P78325 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ADAM33 Q9BZ11 1/20 0.36

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 0.90 CCR2 (0.48) CCR1KCNH2
SCHEMBL13627813 0.88 CCR2 (0.36) CCR1KCNH2
SCHEMBL13628373 0.85 CCR2 (0.44) CCR1KCNH2
SCHEMBL13627654 0.84 CCR2 (0.48) KCNH2
SCHEMBL13627656 0.83 CCR2 (0.44) CCR1KCNH2
SCHEMBL13627811 0.81 CCR2 (0.38) CCR1KCNH2ALDH1A1
SCHEMBL13627651 0.76 CCR2 (0.39) KCNH2
SCHEMBL13628370 0.74 NPC1 (0.44) NAMPTNPC1CCR1KCNH2HRH3
SCHEMBL13627812 0.74 CCR2 (0.42) CCR1KCNH2
SCHEMBL13627585 0.73 CCR2 (0.47) KCNH2

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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