SCHEMBL13627676

SCHEMBL13627676

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 5/20 0.37
▸ CCNT1 O60563 4/20 0.37
▸ TRPV1 Q8NER1 3/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ WNT3A P56704 1/20 0.35
▸ GRM1 Q13255 7/20 0.35
▸ GRM5 P41594 6/20 0.35
▸ SCN5A Q14524 1/20 0.34
▸ SYK P43405 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
SCHEMBL13627659 0.84 CYP11B2 (0.38) TRPV1SCN9A
SCHEMBL13627657 0.83 TRPV1 (0.38) TRPV1
SCHEMBL13628370 0.81 NPC1 (0.44) SYK
SCHEMBL13627655 0.81 PDK4 (0.42) SCN9AGRM1GRM5SYK
SCHEMBL13627656 0.79 CCR2 (0.44) —
SCHEMBL4152429 0.77 GRM1 (0.54) CDK9CCNT1SCN9AWNT3AGRM1
SCHEMBL18901554 0.72 CCR2 (0.39) TRPV1SCN9AWNT3AGRM1GRM5
SCHEMBL18901551 0.72 SYK (0.46) CDK9CCNT1TRPV1SCN9AWNT3A
SCHEMBL13334980 0.72 CCR2 (0.54) —
SCHEMBL3326632 0.71 TRPV1 (0.43) TRPV1

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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