SCHEMBL4583733

SCHEMBL4583733

COC(=O)O[C@H]1C[C@@H](NC(=O)c2ccc(Cl)s2)CN1C(=O)c1ccc2c(c1)CCN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.44
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
F2 P00734 1/20 0.36
ROCK2 O75116 1/20 0.34
MMP2 P08253 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
SCHEMBL4582629 0.95 F10 (0.40) F10LMNAMAPK1KMT2AF2
SCHEMBL4583428 0.90 F10 (0.43) F10LMNAMAPK1KMT2AF2
SCHEMBL4583782 0.90 F10 (0.44) F10LMNAMAPK1KMT2AF2
SCHEMBL13394894 0.88 MMP2 (0.46) F10LMNAMAPK1KMT2AMMP2
SCHEMBL13372716 0.87 F10 (0.47) F10LMNAMAPK1KMT2AMMP2
SCHEMBL13372852 0.86 F10 (0.44) F10LMNAMAPK1KMT2AMMP2
SCHEMBL3310232 0.86 F10 (0.46) F10LMNAMAPK1KMT2AF2
SCHEMBL14044948 0.86 F10 (0.46) F10LMNAMAPK1KMT2AF2
SCHEMBL3312693 0.85 F10 (0.45) F10LMNAMAPK1KMT2AF2
SCHEMBL8502212 0.85 F10 (0.45) F10LMNAMAPK1KMT2AF2

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-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed