SCHEMBL28406440

SCHEMBL28406440

Cc1nc(N)c(CC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 8/20 0.59
BACE1 P56817 3/20 0.41
CTSD P07339 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
FAAH O00519 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
DPP4 P27487 1/20 0.38
GLS O94925 1/20 0.38

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
SCHEMBL28406437 1.00 MBOAT4 (0.59) MBOAT4BACE1CTSDKDM4EPKM
SCHEMBL18166117 1.00 MBOAT4 (0.59) MBOAT4BACE1CTSDKDM4EPKM
SCHEMBL16699034 0.96 MBOAT4 (0.63) MBOAT4KDM4EPKMFAAHGPR119
SCHEMBL19971822 0.86 MBOAT4 (0.64) MBOAT4FAAH
SCHEMBL19971821 0.86 MBOAT4 (0.64) MBOAT4FAAH
SCHEMBL18166194 0.85 MBOAT4 (0.80) MBOAT4
SCHEMBL19971797 0.85 MBOAT4 (0.80) MBOAT4
SCHEMBL19971798 0.85 MBOAT4 (0.80) MBOAT4
SCHEMBL20009391 0.85 MBOAT4 (0.50) MBOAT4KDM4EPKMFAAHGPR119
SCHEMBL16699845 0.84 MBOAT4 (0.49) MBOAT4BACE1KDM4EPKMFAAH

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
CN-107454898-B Ghrelin O-acyltransferase inhibitors 伊莱利利公司 2020-05-05 CN disclosed