SCHEMBL4585319

SCHEMBL4585319

CN1CCc2ccc(C(=O)N3CC(NC(=O)Oc4ccc(Cl)s4)CC3CO)cc2CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.36
F10 P00742 4/20 0.34
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TACR1 P25103 1/20 0.31
ROCK2 O75116 1/20 0.31
MMP2 P08253 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
SCHEMBL4583623 0.97 F10 (0.38) MCHR1F10HDAC1HDAC2ROCK2
SCHEMBL4583104 0.92 MCHR1 (0.35) MCHR1F10HDAC1HDAC2TACR1
SCHEMBL4436523 0.86 F10 (0.36) MCHR1F10HDAC1HDAC2
SCHEMBL3313509 0.86 F10 (0.45) MCHR1F10
SCHEMBL8509656 0.86 F10 (0.45) MCHR1F10
SCHEMBL3312693 0.84 F10 (0.45) MCHR1F10
SCHEMBL8502212 0.84 F10 (0.45) MCHR1F10
SCHEMBL4583666 0.83 CCNK (0.43) MCHR1F10
SCHEMBL4583390 0.83 CCNK (0.43) MCHR1F10
SCHEMBL4584030 0.83 CCNK (0.43) MCHR1F10

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