SCHEMBL4429994

SCHEMBL4429994

CC(=O)NC[C@@H]1C[C@@H](NC(=O)Oc2ccc(Cl)s2)CN1C(=O)c1cc2c(s1)CCN(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.36
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
WDR91 A4D1P6 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MCHR1 Q99705 2/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL13372884 0.92 F10 (0.34) F10PRMT5WDR77WDR91ALDH1A1
SCHEMBL13372678 0.91 F10 (0.37) F10PRMT5WDR77WDR91ALDH1A1
SCHEMBL4436523 0.90 F10 (0.36) F10PRMT5WDR77WDR91ALDH1A1
SCHEMBL13372818 0.89 F10 (0.35) F10PRMT5WDR77WDR91ALDH1A1
SCHEMBL13372758 0.88 F10 (0.34) F10PRMT5WDR77WDR91ALDH1A1
SCHEMBL3310191 0.88 F10 (0.44) F10PRMT5WDR77WDR91
SCHEMBL13372902 0.85 F10 (0.39) F10WDR91MCHR1HDAC1HDAC2
SCHEMBL13395189 0.83 F10 (0.43) F10PRMT5WDR77WDR91
SCHEMBL13372914 0.82 F10 (0.36) F10WDR91ALDH1A1HPGD
SCHEMBL13395186 0.80 F10 (0.41) F10PRMT5WDR77

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
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-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
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