SCHEMBL5280129

SCHEMBL5280129

C/C=C\CN1CCCC1C

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 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
SCHEMBL4936655 1.00 HRH3 (0.39) HRH3
SCHEMBL4936645 1.00 HRH3 (0.39) HRH3
SCHEMBL4937485 1.00 HRH3 (0.39) HRH3
SCHEMBL4936649 1.00 HRH3 (0.39) HRH3
SCHEMBL15508578 0.94 ALDH1A1 (0.41) HRH3
SCHEMBL17081981 0.85 HRH3 (0.35) HRH3
SCHEMBL24299894 0.80 ALDH1A1 (0.37) HRH3
SCHEMBL8587021 0.77
SCHEMBL29796695 0.77
SCHEMBL27716555 0.77 ALDH1A1 (0.43) HRH3

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-1863780-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN Pharmacia & Upjohn Company LLC (US) 2007-12-12 EP disclosed
WO-2006100568-A1 PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed