SCHEMBL13627659

SCHEMBL13627659

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.38
▸ TRPV1 Q8NER1 7/20 0.35
▸ SOS1 Q07889 3/20 0.34
▸ NAMPT P43490 4/20 0.34
▸ TLR7 Q9NYK1 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK13 Q14004 1/20 0.33
▸ CDK12 Q9NYV4 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ CCR2 P41597 1/20 0.32
▸ CCR1 P32246 1/20 0.32

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 0.84 CDK9 (0.37) TRPV1SCN9A
SCHEMBL13628370 0.83 NPC1 (0.44) NAMPTCCR1
SCHEMBL13627677 0.83 TRPV1 (0.37) CYP11B2TRPV1SOS1NAMPTCCR2
SCHEMBL13627655 0.80 PDK4 (0.42) SOS1NAMPTSCN9ACCR1
SCHEMBL13628373 0.79 CCR2 (0.44) CCR2CCR1
SCHEMBL29579841 0.76 CYP11B2 (0.57) CYP11B2SOS1NAMPTTLR7CDK7
SCHEMBL4153073 0.76 CYP11B2 (0.57) CYP11B2SOS1NAMPTTLR7CDK7
SCHEMBL18901687 0.72 CYP11B2 (0.40) CYP11B2TRPV1NAMPTCDK7CDK13
SCHEMBL3322750 0.70 CYP11B2 (0.45) CYP11B2TRPV1
SCHEMBL13627654 0.68 CCR2 (0.48) SOS1CCR2

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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