SCHEMBL29688697

SCHEMBL29688697

CC[C@]1(c2ccc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)cc2)NC(=O)NC1=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 14/20 0.64
HTT P42858 4/20 0.56
POLB P06746 1/20 0.56
ADAM17 P78536 8/20 0.52
LMNA P02545 4/20 0.51
MMP1 P03956 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL29688675 1.00 ADAMTS5 (0.64) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL29689198 1.00 ADAMTS5 (0.64) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL20135605 1.00 ADAMTS5 (0.64) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL20135522 1.00 ADAMTS5 (0.64) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL20135430 1.00 ADAMTS5 (0.64) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL29688845 0.92 ADAMTS5 (0.67) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL20135711 0.92 ADAMTS5 (0.67) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL20134780 0.91 ADAMTS5 (0.65) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL29689082 0.91 ADAMTS5 (0.65) ADAMTS5HTTPOLBADAM17LMNA
SCHEMBL20135179 0.90 ADAMTS5 (0.61) ADAMTS5HTTPOLBADAM17LMNA

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