SCHEMBL4536790

SCHEMBL4536790

O=C(CC1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.53
POLB P06746 1/20 0.50
EPHX2 P34913 1/20 0.47
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
CNR1 P21554 1/20 0.43
KMT2A Q03164 2/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4535072 0.97 BDKRB1 (0.56) BDKRB1POLBEPHX2CNR1KMT2A
SCHEMBL4541345 0.88 POLB (0.44) BDKRB1POLBKMT2ANPC1RAB9A
SCHEMBL8064960 0.88 EPHX2 (0.50) BDKRB1POLBEPHX2BRD4BRD2
SCHEMBL4539776 0.86 BRD4 (0.53) BDKRB1BRD4BRD2
SCHEMBL4535231 0.86 HTR7 (0.52) BDKRB1EPHX2KMT2ANPC1RAB9A
SCHEMBL4536998 0.86 BDKRB1 (0.49) BDKRB1KMT2AHCRTR1HCRTR2NPC1
SCHEMBL4542494 0.86 HTR7 (0.52) BDKRB1EPHX2KMT2ANPC1RAB9A
SCHEMBL4542819 0.85 RAB9A (0.54) EPHX2KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4541867 0.85 CNR1 (0.51) EPHX2CNR1KMT2ASMN1; SMN2
SCHEMBL4538146 0.85 CNR1 (0.47) POLBEPHX2CNR1KMT2ASMN1; SMN2

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
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO claimed
WO-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed