SCHEMBL4583647

SCHEMBL4583647

COC1CN(C(=O)c2ccc3c(c2)CCN(C)CC3)CC1NC(=O)Oc1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.38
MCHR1 Q99705 6/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.33
CPS1 P31327 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
PKM P14618 1/20 0.32
CCNK O75909 2/20 0.31
CDK12 Q9NYV4 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL4432476 0.97 F10 (0.42) F10MCHR1LMNATP53MAPT
SCHEMBL4592517 0.89 F10 (0.39) F10MCHR1LMNATP53MAPT
SCHEMBL4592558 0.87 F10 (0.43) F10MCHR1LMNATP53MAPT
SCHEMBL4433785 0.87 F10 (0.43) F10MCHR1LMNATP53MAPT
SCHEMBL3309135 0.87 F10 (0.45) F10LMNAMAPK1
SCHEMBL8487514 0.87 F10 (0.45) F10LMNAMAPK1
SCHEMBL4583790 0.85 SPTLC2 (0.41) F10MCHR1HDAC6
SCHEMBL4584319 0.85 F10 (0.44) F10MCHR1MAPTHDAC6POLB
SCHEMBL4433533 0.85 F10 (0.38) F10MCHR1LMNAHDAC6
SCHEMBL4584044 0.85 F10 (0.41) F10MCHR1HDAC6CCNKCDK12

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 2 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-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed