SCHEMBL13627582

SCHEMBL13627582

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NAMPT P43490 3/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ CCR1 P32246 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL13627814 0.84 PPARG (0.41) KCNH2HRH3KMT2AMEN1NAMPT
SCHEMBL13627677 0.79 TRPV1 (0.37) NAMPT
SCHEMBL13628370 0.78 NPC1 (0.44) KCNH2HRH3KMT2AMEN1NAMPT
SCHEMBL2549704 0.77 KCNH2 (0.52) KCNH2HRH3KMT2AMEN1NAMPT
SCHEMBL2246819 0.77 KCNH2 (0.52) KCNH2HRH3KMT2AMEN1NAMPT
SCHEMBL13627657 0.77 TRPV1 (0.38) NAMPT
SCHEMBL13628365 0.74 CCR1 (0.47) KMT2AMEN1CCR1
SCHEMBL2249633 0.73 MMP2 (0.55) KCNH2HRH3KMT2AMEN1NAMPT
SCHEMBL2545082 0.73 MMP2 (0.55) KCNH2HRH3KMT2AMEN1NAMPT
SCHEMBL13627581 0.73 NAMPT (0.39) KCNH2HRH3KMT2AMEN1NAMPT

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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