SCHEMBL8792804

SCHEMBL8792804

COc1ccc(N)cc1O[C@H](C)C1CCCN1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A3 Q01959 3/20 0.41
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA1A P35348 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NR4A1 P22736 1/20 0.35

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
SCHEMBL8587501 1.00 MEN1 (0.43) MEN1KMT2ASLC6A3CHRNB4CHRNA3
SCHEMBL8587502 1.00 MEN1 (0.43) MEN1KMT2ASLC6A3CHRNB4CHRNA3
SCHEMBL8792376 0.96 MEN1 (0.48) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL521429 0.84 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL4366937 0.81 HTR2A (0.39) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL8706824 0.80 MEN1 (0.50) MEN1KMT2ASLC6A3CHRNB4CHRNA3
SCHEMBL8706820 0.80 MEN1 (0.50) MEN1KMT2ASLC6A3CHRNB4CHRNA3
SCHEMBL8791343 0.80 ALOX15 (0.41) SLC6A3SLC6A2SLC6A4MAPK1
SCHEMBL8792123 0.79 SMN1; SMN2 (0.47) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL8792127 0.79 SMN1; SMN2 (0.47) MEN1KMT2ASLC6A3SLC6A2SLC6A4

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-0758330-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-19 EP disclosed
WO-1995030675-A1 BIPHENYLCARBOXAMIDES USEFUL AS 5-HT1D ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-11-16 WO disclosed