Sugi Predict

Sugi Predict / Compounds / SCHEMBL7608775

SCHEMBL7608775

SCHEMBL7608775

CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1ccc(CCCC(=O)O)cc1C#N.[NaH]

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 18/20 0.89
▸ SLC6A2 P23975 8/20 0.89
▸ SLC6A4 P31645 8/20 0.89
▸ SLC6A3 Q01959 8/20 0.89
▸ KCNH2 Q12809 8/20 0.89
▸ CYP2D6 P10635 10/20 0.76
▸ ADRB2 P07550 5/20 0.76
▸ ADRB3 P13945 1/20 0.55

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
SCHEMBL7608783 1.00 CASR (0.89) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3348707 0.99 CASR (0.91) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3348716 0.99 CASR (0.91) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3348714 0.99 CASR (0.91) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7608791 0.98 CASR (0.89) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7603270 0.95 CASR (0.81) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL7603278 0.95 CASR (0.81) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3416801 0.94 CASR (0.82) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL5949415 0.94 CASR (0.82) CASRSLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL3416797 0.94 CASR (0.82) CASRSLC6A2SLC6A4SLC6A3KCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6395919-B1 Calcilytic compounds SMITHKLINE BEECHAM CORPORATION 2002-05-28 — — US disclosed