SCHEMBL13627655

SCHEMBL13627655

CCC(CC(C(=O)N1CC=C(c2ccccc2C(F)(F)F)CC1)C(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK4 Q16654 1/20 0.42
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ SOS1 Q07889 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SYK P43405 1/20 0.36
▸ NAMPT P43490 3/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ HTR6 P50406 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRM1 Q13255 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
SCHEMBL13628370 0.87 NPC1 (0.44) PDK4SYKNAMPTKMT2ACCR1
SCHEMBL13627814 0.82 PPARG (0.41) PDK4PPARGPPARASOS1MAPT
SCHEMBL13627676 0.81 CDK9 (0.37) SYKSCN9AGRM5GRM1
SCHEMBL13627659 0.80 CYP11B2 (0.38) SOS1NAMPTCCR1SCN9A
SCHEMBL13628658 0.78 KMT2A (0.38) SYKKMT2ACCR1SCN9AMAPK1
SCHEMBL13627813 0.78 CCR2 (0.36) PPARGPPARACCR1
SCHEMBL3326223 0.75 PDK4 (0.65) PDK4SOS1NAMPTHTR6GRM5
SCHEMBL13627810 0.72 CCR1 (0.46) SYKKMT2ACCR1MAPK1ATM
SCHEMBL18901811 0.70 PDK4 (0.43) PDK4PPARGPPARAMAPTNAMPT
SCHEMBL13334975 0.70 CCR2 (0.51) PDK4SOS1

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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