SCHEMBL29688693

SCHEMBL29688693

CCC1(c2ccc(C(=O)N3CCN(c4nc(C)c(C)cc4C)CC3)c(F)c2)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 17/20 0.41
ADAM17 P78536 8/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 2/20 0.39
MMP13 P45452 1/20 0.39
MMP8 P22894 1/20 0.38
MMP14 P50281 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
SCHEMBL20135199 1.00 ADAMTS5 (0.41) ADAMTS5ADAM17HTTKMT2AMMP1
SCHEMBL20134789 0.94 ADAMTS5 (0.42) ADAMTS5ADAM17HTTKMT2AMMP1
SCHEMBL29689032 0.94 ADAMTS5 (0.42) ADAMTS5ADAM17HTTKMT2AMMP1
SCHEMBL20135448 0.91 ADAMTS5 (0.40) ADAMTS5ADAM17HTTKMT2AMMP1
SCHEMBL29688404 0.91 ADAMTS5 (0.40) ADAMTS5ADAM17HTTKMT2AMMP1
SCHEMBL20135352 0.88 HTT (0.43) ADAMTS5ADAM17HTTKMT2AMMP2
SCHEMBL29689076 0.88 HTT (0.43) ADAMTS5ADAM17HTTKMT2AMMP2
SCHEMBL29688820 0.88 HTT (0.43) ADAMTS5ADAM17HTTKMT2AMMP2
SCHEMBL29688920 0.88 HTT (0.43) ADAMTS5ADAM17HTTKMT2AMMP2
SCHEMBL20135354 0.88 HTT (0.43) ADAMTS5ADAM17HTTKMT2AMMP2

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