SCHEMBL13627677

SCHEMBL13627677

CCC(N)CC(C(=O)N1CC=C(c2cncc(C(F)(F)F)c2)CC1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.37
▸ CYP11B2 P19099 5/20 0.37
▸ NAMPT P43490 5/20 0.36
▸ CCR2 P41597 1/20 0.34
▸ SOS1 Q07889 2/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL13627659 0.83 CYP11B2 (0.38) TRPV1CYP11B2NAMPTCCR2SOS1
SCHEMBL13627657 0.81 TRPV1 (0.38) TRPV1NAMPTLNPEPDPP7
SCHEMBL13627582 0.79 KCNH2 (0.50) NAMPT
SCHEMBL13628373 0.77 CCR2 (0.44) CCR2
SCHEMBL13627814 0.77 PPARG (0.41) NAMPTSOS1DPP7
SCHEMBL3322750 0.76 CYP11B2 (0.45) TRPV1CYP11B2
SCHEMBL20754050 0.72 JAK1 (0.48) CYP11B2NAMPT
SCHEMBL4153073 0.72 CYP11B2 (0.57) CYP11B2NAMPTSOS1
SCHEMBL29579841 0.72 CYP11B2 (0.57) CYP11B2NAMPTSOS1
SCHEMBL13407704 0.71 CCR2 (0.52) CCR2

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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