SCHEMBL18901609

SCHEMBL18901609

CC(C)(C)OC(=O)NC1CC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.61
LMNA P02545 8/20 0.51
HTT P42858 5/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALOX12 P18054 1/20 0.50
USP2 O75604 3/20 0.49
TSHR P16473 3/20 0.49
HSD17B10 Q99714 3/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL18901678 0.87 CCR2 (0.44) POLBLMNASMN1; SMN2USP2TSHR
SCHEMBL4472975 0.86 CCR2 (0.52) POLB
SCHEMBL4161857 0.86 POLB (0.69) POLBLMNAHTTMAPTSMN1; SMN2
SCHEMBL13758488 0.84 POLB (0.55) POLBLMNAHTTMAPTSMN1; SMN2
SCHEMBL13613090 0.84 POLB (0.55) POLBLMNAHTTMAPTSMN1; SMN2
SCHEMBL18901429 0.83 SYK (0.49) MAPT
SCHEMBL10993938 0.81 POLB (0.90) POLBLMNAHTTMAPTSMN1; SMN2
SCHEMBL2187327 0.81 POLB (0.71) POLBLMNAHTTSMN1; SMN2USP2
SCHEMBL22499987 0.81 NOTUM (0.57) POLBLMNAHTTMAPTSMN1; SMN2
SCHEMBL29689683 0.81 NOTUM (0.57) POLBLMNAHTTMAPTSMN1; SMN2

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