SCHEMBL19905736

SCHEMBL19905736

C[C@@H](N)C(=O)N[C@H]1CC[C@H](C(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.41
▸ MME P08473 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ XIAP P98170 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MELK Q14680 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ ARG1 P05089 1/20 0.34
▸ ARG2 P78540 1/20 0.34

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
SCHEMBL22987448 0.88 — —
SCHEMBL2156256 0.88 — —
SCHEMBL3562819 0.88 — —
Hydrochloric Acid SCHEMBL22979118 0.86 SMYD3 (0.47) SMYD3XIAPKMT2ALMNABLM
Hydrochloric Acid SCHEMBL22979117 0.86 SMYD3 (0.47) SMYD3XIAPKMT2ALMNABLM
SCHEMBL3401698 0.85 SMYD3 (0.41) SMYD3MMETSHRKMT2ASMN1; SMN2
SCHEMBL22629584 0.81 EPHX1 (0.50) SMYD3XIAPKMT2ALMNABLM
SCHEMBL15906217 0.81 EPHX1 (0.50) SMYD3XIAPKMT2ALMNABLM
SCHEMBL13457996 0.81 EPHX2 (0.54) SMYD3TSHRXIAPKMT2ALMNA
SCHEMBL15906216 0.81 EPHX1 (0.50) SMYD3XIAPKMT2ALMNABLM

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
EP-2684880-B1 DISPIROPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-02-28 — — EP disclosed
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