SCHEMBL4435127

SCHEMBL4435127

COC1CN(C(=O)c2cc3c(s2)C(C)CN(C)CC3)CC1NC(=O)Oc1ccc(Cl)s1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
HRH4 Q9H3N8 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
SCHEMBL13372905 0.90 F10 (0.33) F10ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13395119 0.88 F10 (0.40) F10LMNAMAPK1KMT2A
SCHEMBL3304403 0.88 F10 (0.40) F10LMNAMAPK1KMT2A
SCHEMBL4584319 0.88 F10 (0.44) F10ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4583142 0.86 F10 (0.44) F10ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13372898 0.86 F10 (0.33) F10HDAC1HDAC2
SCHEMBL4583647 0.83 F10 (0.38) F10LMNAMAPK1
SCHEMBL4433466 0.83 F10 (0.32) F10
SCHEMBL4432476 0.81 F10 (0.42) F10HDAC1LMNAMAPK1
SCHEMBL4436378 0.80 ALDH1A1 (0.33) F10ALDH1A1HPGDCYP1A2CYP2C19

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