SCHEMBL8486986

SCHEMBL8486986

COc1ccc([C@@H]2CCNC[C@H]2OC(=O)N(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.52
FPR1 P21462 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 2/20 0.42
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL19995225 0.85 REN (0.54) RENFPR1MAOAKDM1AMAOB
SCHEMBL14432358 0.82 REN (0.52) RENFPR1MAOAKDM1AMAOB
SCHEMBL28103960 0.82 REN (0.52) RENFPR1MAOAKDM1AMAOB
SCHEMBL17474540 0.78 FPR1 (0.52) RENFPR1KMT2AMAOAKDM1A
SCHEMBL8448724 0.76 REN (0.56) RENFPR1MEN1KMT2AMAOA
SCHEMBL14256225 0.75 REN (0.45) RENFPR1
SCHEMBL14256183 0.75 REN (0.53) RENFPR1ALDH1A1SMN1; SMN2
SCHEMBL16874612 0.74 REN (0.52) RENFPR1MEN1KMT2AMAOA
SCHEMBL16874609 0.74 REN (0.52) RENFPR1MEN1KMT2AMAOA
SCHEMBL16874548 0.74 REN (0.52) RENFPR1MEN1KMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163245-A1 Renin inhibitors for the treatment of psoriasis Novartis Ag (CH) 2010-03-17 EP disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed