SCHEMBL13627657

SCHEMBL13627657

CCC(N)CC(C(=O)N1CC=C(c2cc(C(F)(F)F)ccn2)CC1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.38
▸ DPP7 Q9UHL4 2/20 0.37
▸ KCNK3 O14649 1/20 0.35
▸ LIMK1 P53667 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ BCR P11274 1/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ NAMPT P43490 2/20 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
SCHEMBL13627676 0.83 CDK9 (0.37) TRPV1
SCHEMBL13627677 0.81 TRPV1 (0.37) TRPV1DPP7LNPEPNAMPT
SCHEMBL13627814 0.78 PPARG (0.41) DPP7NAMPT
SCHEMBL13627656 0.78 CCR2 (0.44) —
SCHEMBL13627582 0.77 KCNH2 (0.50) NAMPT
SCHEMBL3326632 0.76 TRPV1 (0.43) TRPV1KCNK3LIMK1LIMK2ABL1
SCHEMBL4152429 0.73 GRM1 (0.54) —
SCHEMBL20753966 0.73 JAK1 (0.55) TRPV1
SCHEMBL3322631 0.71 CCR2 (0.52) —
SCHEMBL13741759 0.71 CCR2 (0.52) —

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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