SCHEMBL4440639

SCHEMBL4440639

CN1CCc2cc(C(=O)N3CC[C@@H](NC(=O)Oc4ccc(Cl)s4)C3)sc2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM5A P29375 3/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
KMT2A Q03164 2/20 0.36
PDE2A O00408 4/20 0.36
PDE3A Q14432 1/20 0.36
PDE3B Q13370 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR1 P03372 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NR4A1 P22736 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL3310110 0.86 F10 (0.56) F10NPC1RAB9AALDH1A1HPGD
SCHEMBL4584030 0.85 CCNK (0.43) F10KDM5A
SCHEMBL4583666 0.85 CCNK (0.43) F10KDM5A
SCHEMBL4583390 0.85 CCNK (0.43) F10KDM5A
SCHEMBL4582199 0.84 CCNK (0.46) F10KDM5A
SCHEMBL4584897 0.83 CCNK (0.46) F10KDM5A
SCHEMBL4584327 0.83 CCNK (0.46) F10KDM5A
SCHEMBL4582426 0.83 CCNK (0.46) F10KDM5A
SCHEMBL4436523 0.82 F10 (0.36) F10ALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL13372914 0.81 F10 (0.36) F10NPC1RAB9AALDH1A1HPGD

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 4 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
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed