SCHEMBL18901530

SCHEMBL18901530

CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MAPT P10636 1/20 0.46
CCR2 P41597 11/20 0.46
KCNH2 Q12809 4/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
CCR5 P51681 1/20 0.45
TRPV1 Q8NER1 2/20 0.45
CCRL2 O00421 1/20 0.44

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
SCHEMBL18901429 0.95 SYK (0.49) SYKHRH3MAPTCCR2KCNH2
SCHEMBL31410529 0.84 EPHX2 (0.43) SYKCKS1BSKP1SKP2CCRL2
SCHEMBL1351789 0.82 SYK (0.64) SYKHRH3CKS1BSKP1SKP2
SCHEMBL1351791 0.82 SYK (0.64) SYKHRH3CKS1BSKP1SKP2
SCHEMBL13335000 0.80 CCR2 (0.53) CCR2KCNH2CCR5
SCHEMBL13361854 0.80 CCR2 (0.70) CCR2KCNH2CCR5
SCHEMBL13334957 0.80 CCR2 (0.70) CCR2KCNH2CCR5
SCHEMBL13335012 0.80 CCR2 (0.67) CCR2KCNH2CCR5
SCHEMBL31410428 0.79 HSD11B1 (0.55) MAPT
SCHEMBL18901560 0.79 GPR119 (0.54) CKS1BSKP1SKP2

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
EP-1763351-B9 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE HOLDINGS CORP (US) 2017-05-31 EP disclosed