SCHEMBL29689249

SCHEMBL29689249

CCCCC1(c2ccc(C(=O)N3CCN(c4ncc(C5CC5)cc4C)CC3)cc2)NC(=O)NC1=O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 17/20 0.42
ADAM17 P78536 9/20 0.42
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.40

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
SCHEMBL20135694 1.00 ADAMTS5 (0.42) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL20135062 0.95 ADAMTS5 (0.43) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL20134893 0.95 ADAMTS5 (0.43) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL20135444 0.95 ADAMTS5 (0.43) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL20135581 0.92 ADAMTS5 (0.40) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL29688879 0.92 ADAMTS5 (0.40) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL20135625 0.92 ADAM17 (0.41) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL29688941 0.92 ADAM17 (0.41) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL20134951 0.92 ADAM17 (0.41) ADAMTS5ADAM17MMP2MMP1MMP13
SCHEMBL20134947 0.92 ADAM17 (0.41) ADAMTS5ADAM17MMP2MMP1MMP13

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