SCHEMBL6583309

SCHEMBL6583309

Cc1ccc(OCCCCl)c2c1NC(=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 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
SCHEMBL6588792 0.96 DDB1 (0.37) ADRB3MEN1ALDH1A1GAATSHR
SCHEMBL6587180 0.95 DDB1 (0.39) ADRB3MEN1ALDH1A1GAATSHR
SCHEMBL6588345 0.94 ADRB3 (0.36) ADRB3MEN1ALDH1A1GAATSHR
SCHEMBL9385137 0.86 ADRB3 (0.40) ADRB3MEN1ALDH1A1GAAKMT2A
SCHEMBL9654014 0.86 PDE7A (0.38)
SCHEMBL9385378 0.85 ALDH1A1 (0.39) ADRB3ALDH1A1
SCHEMBL23264604 0.84 ADRB3 (0.38) ADRB3MEN1ALDH1A1GAATSHR
SCHEMBL9385975 0.84 HTR1B (0.41) ADRB3
SCHEMBL10577194 0.83 ADRB3 (0.34) ADRB3
SCHEMBL9384640 0.82 ADRB3 (0.40) ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957100-B1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME KOWA CO (JP) 2004-10-27 EP disclosed
EP-0957100-A1 DIAMINE DERIVATIVES AND PHARMACEUTICAL CONTAINING THE SAME Kowa Co., Ltd. (JP) 1999-11-17 EP disclosed
WO-1994003425-A2 CARBOSTYRIL DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIA SYNTEX (U.S.A.) INC. (US) 1994-02-17 WO disclosed