SCHEMBL11959792

SCHEMBL11959792

COC[C@H]1CC[C@H](NC(=O)C2Cc3cc(Cl)ccc3N2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.34
▸ DRD3 P35462 2/20 0.33
▸ ACACB O00763 2/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ CCR1 P32246 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12507711 0.90 MAOA (0.33) DRD2DRD3ACACBACACAEPHX2
SCHEMBL10280029 0.86 CCR1 (0.39) EPHX2KMT2AL3MBTL1KDM1ACCR1
SCHEMBL12101100 0.78 EPHX2 (0.36) DRD2EPHX2KDM1ACCR1MAOB
SCHEMBL4094101 0.77 F10 (0.50) —
SCHEMBL3340284 0.77 F10 (0.50) —
SCHEMBL10476622 0.77 F10 (0.50) —
SCHEMBL4275693 0.77 F10 (0.50) —
SCHEMBL3340287 0.77 F10 (0.50) —
SCHEMBL15045022 0.75 SMN1; SMN2 (0.38) ACACBACACA
SCHEMBL12507710 0.71 STS (0.41) L3MBTL1MAPK8ALDH1A1

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-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 — — EP disclosed
Send feedback