SCHEMBL4583790

SCHEMBL4583790

CN1CCc2ccc(C(=O)N3CC(NC(=O)Oc4ccc(Cl)s4)C(c4ccccc4)C3)cc2CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPTLC2 O15270 5/20 0.41
TLR2 O60603 8/20 0.38
TLR1 Q15399 6/20 0.38
MCHR1 Q99705 2/20 0.37
F10 P00742 2/20 0.37
CCR5 P51681 2/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL4583302 0.98 F10 (0.40) SPTLC2TLR2TLR1MCHR1F10
SCHEMBL4592517 0.87 F10 (0.39) MCHR1F10HDAC6
SCHEMBL3308802 0.86 F10 (0.50) SPTLC2F10
SCHEMBL8509526 0.86 F10 (0.50) SPTLC2F10
SCHEMBL4583647 0.85 F10 (0.38) MCHR1F10HDAC6
SCHEMBL4433785 0.85 F10 (0.43) MCHR1F10HDAC6
SCHEMBL4592558 0.85 F10 (0.43) MCHR1F10HDAC6
SCHEMBL8486588 0.84 F10 (0.48) SPTLC2F10
SCHEMBL4432476 0.83 F10 (0.42) MCHR1F10HDAC6
SCHEMBL4433533 0.83 F10 (0.38) MCHR1F10HDAC6

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