SCHEMBL13628658

SCHEMBL13628658

CCC(CC(C(=O)N1CCC(O)(c2ccccc2C(F)(F)F)CC1)C(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ SYK P43405 1/20 0.37
▸ MC4R P32245 1/20 0.36
▸ CCR1 P32246 3/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ FLT4 P35916 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HRH2 P25021 2/20 0.34
▸ HRH1 P35367 2/20 0.34
▸ ALDH1A1 P00352 1/20 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
SCHEMBL13627810 0.86 CCR1 (0.46) KMT2AMAPK1SYKCCR1ATM
SCHEMBL13628368 0.82 DPP7 (0.36) KMT2ACCR1TSHRALDH1A1
SCHEMBL13627655 0.78 PDK4 (0.42) KMT2AMAPK1SYKCCR1SCN9A
SCHEMBL13627651 0.77 CCR2 (0.39) —
SCHEMBL3326302 0.74 PDK2 (0.50) KMT2ASYKATMALOX15TSHR
SCHEMBL13628370 0.73 NPC1 (0.44) KMT2AMAPK1SYKCCR1POLB
SCHEMBL13334973 0.70 CCR2 (0.43) —
SCHEMBL13361946 0.70 CCR2 (0.43) —
SCHEMBL3826834 0.69 PDK2 (0.45) MAPK1SYKATMALOX15TSHR
SCHEMBL13627676 0.68 CDK9 (0.37) SYKSCN9A

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
Send feedback