SCHEMBL4435831

SCHEMBL4435831

CC1CN(C(=O)c2ccc3c(c2)CCN(C)C3)CC1OC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.44
MAPK1 P28482 1/20 0.39
MYC P01106 1/20 0.38
CPS1 P31327 1/20 0.38
HDAC6 Q9UBN7 5/20 0.37
HDAC8 Q9BY41 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL3308344 0.83 F10 (0.46) F10MAPK1MYCCPS1HDAC6
SCHEMBL3308159 0.82 F10 (0.47) F10MAPK1MYCHDAC6HDAC8
SCHEMBL8476735 0.76 F10 (0.56) F10HDAC6HDAC8MEN1KMT2A
SCHEMBL3308077 0.75 F10 (0.48) F10MCHR1
SCHEMBL3308085 0.75 F10 (0.48) F10MCHR1
SCHEMBL13473777 0.74 ADRA1A (0.49) F10MAPK1DRD1DRD5MCHR1
SCHEMBL4582915 0.74 F10 (0.46) F10MAPK1KMT2A
SCHEMBL3306286 0.73 CCNK (0.49) F10MYCHDAC6HDAC8HDAC3
SCHEMBL3306278 0.73 CCNK (0.49) F10MYCHDAC6HDAC8HDAC3
SCHEMBL3313430 0.73 ALDH1A1 (0.61) F10MYCHDAC6HDAC8DRD1

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