SCHEMBL14045006

SCHEMBL14045006

CNC(=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 14/20 0.44
PRSS1 P07477 2/20 0.40
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
F2 P00734 1/20 0.36
MMP2 P08253 1/20 0.35

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
SCHEMBL14044948 0.92 F10 (0.46) F10LMNAMAPK1KMT2AF2
SCHEMBL3310232 0.92 F10 (0.46) F10LMNAMAPK1KMT2AF2
SCHEMBL13394894 0.90 MMP2 (0.46) F10LMNAMAPK1KMT2AMMP2
SCHEMBL8489431 0.89 F10 (0.44) F10LMNAMAPK1KMT2AF2
SCHEMBL13394931 0.89 F10 (0.44) F10LMNAMAPK1KMT2AF2
SCHEMBL4583776 0.89 F10 (0.45) F10LMNAMAPK1KMT2AF2
SCHEMBL8489145 0.89 F10 (0.45) F10LMNAMAPK1KMT2AF2
SCHEMBL13394885 0.87 MMP2 (0.48) F10LMNAMAPK1KMT2AF2
SCHEMBL13394941 0.86 F10 (0.43) F10LMNAMAPK1KMT2AF2
SCHEMBL13394928 0.86 F10 (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed