SCHEMBL29688984

SCHEMBL29688984

CC[C@]1(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)cc2)NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 18/20 0.44
ADAM17 P78536 11/20 0.44
MMP1 P03956 1/20 0.42
MMP2 P08253 4/20 0.41
MMP13 P45452 4/20 0.41

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
SCHEMBL20134948 1.00 ADAMTS5 (0.44) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL20134931 1.00 ADAMTS5 (0.44) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL20134928 1.00 ADAMTS5 (0.44) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL29688392 1.00 ADAMTS5 (0.44) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL20135683 0.93 ADAMTS5 (0.47) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL29688484 0.93 ADAMTS5 (0.47) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL20135159 0.93 ADAMTS5 (0.47) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL20134988 0.93 ADAMTS5 (0.47) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL29688881 0.93 ADAMTS5 (0.47) ADAMTS5ADAM17MMP1MMP2MMP13
SCHEMBL29688855 0.93 ADAMTS5 (0.47) ADAMTS5ADAM17MMP1MMP2MMP13

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-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed