SCHEMBL8793471

SCHEMBL8793471

COc1ccc(N)cc1O[C@@H](C(=O)OC(C)(C)C)C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8793479 1.00 SLC6A3 (0.43) SLC6A3MEN1KMT2A
SCHEMBL8791129 0.95 SLC6A3 (0.38) SLC6A3MEN1KMT2A
SCHEMBL5261467 0.88 SLC6A3 (0.41) SLC6A3
SCHEMBL5261463 0.88 SLC6A3 (0.41) SLC6A3
SCHEMBL5263091 0.84 SLC6A3 (0.39) SLC6A3
SCHEMBL8792076 0.84 SLC6A3 (0.47) SLC6A3MEN1KMT2A
SCHEMBL5265369 0.84 SLC6A3 (0.39) SLC6A3
SCHEMBL8792081 0.84 SLC6A3 (0.47) SLC6A3MEN1KMT2A
SCHEMBL5263085 0.84 SLC6A3 (0.39) SLC6A3
SCHEMBL5153148 0.82 CA12 (0.44) SLC6A3MEN1KMT2A

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