SCHEMBL18901429

SCHEMBL18901429

CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.49
HRH3 Q9Y5N1 1/20 0.48
CCR2 P41597 12/20 0.46
MAPT P10636 2/20 0.46
KCNH2 Q12809 4/20 0.45
CCR5 P51681 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL18901530 0.95 SYK (0.49) SYKHRH3CCR2MAPTKCNH2
SCHEMBL18901560 0.84 GPR119 (0.54) KDM4EALDH1A1
SCHEMBL18901609 0.83 POLB (0.61) MAPT
SCHEMBL18901626 0.82 PKM (0.46) SYKCCR2KCNH2CCR5KDM4E
SCHEMBL1351789 0.82 SYK (0.64) SYKHRH3
SCHEMBL1351791 0.82 SYK (0.64) SYKHRH3
SCHEMBL18901678 0.81 CCR2 (0.44) SYKCCR2KCNH2
SCHEMBL31410428 0.80 HSD11B1 (0.55) MAPTKDM4EALDH1A1
SCHEMBL18901428 0.80 CCR2 (0.57) CCR2KCNH2CCR5
SCHEMBL18901708 0.80 CCR2 (0.57) CCR2KCNH2CCR5

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