SCHEMBL8259083

SCHEMBL8259083

O=C(NC[C@@H]1CNC[C@H]1O)c1ccc(Cl)s1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.47
▸ F10 P00742 14/20 0.46
▸ HPGD P15428 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ GSK3B P49841 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL8251746 0.82 MAPK1 (0.46) MAPK1F10HPGDTSHR
SCHEMBL8259245 0.79 F10 (0.55) MAPK1F10GSK3BLMNA
SCHEMBL8258082 0.77 HDAC3 (0.47) MAPK1F10HPGDTSHR
SCHEMBL4592458 0.77 F10 (0.51) MAPK1F10
SCHEMBL4592531 0.77 F10 (0.51) MAPK1F10
SCHEMBL20618506 0.77 HDAC3 (0.58) MAPK1F10HPGDTSHRGSK3B
SCHEMBL20615680 0.77 HDAC3 (0.52) MAPK1F10HPGDTSHR
SCHEMBL8257548 0.76 F10 (0.47) MAPK1F10HPGDTSHR
SCHEMBL3553795 0.75 F10 (0.45) MAPK1F10HPGDTSHR
SCHEMBL13436076 0.75 F10 (0.45) MAPK1F10HPGDTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
US-7820699-B2 Cyclic amines HOFFMANN-LA ROCHE INC. (US) 2010-10-26 — — US disclosed
WO-2006114401-A2 NOVEL CYCLIC AMINES F. HOFFMANN-LA ROCHE AG (CH) 2006-11-02 — — WO disclosed
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