Sugi Predict

Sugi Predict / Compounds / SCHEMBL6987337

SCHEMBL6987337

SCHEMBL6987337

Cc1ccc(S(=O)(=O)NN2CC[C@@H](CCCOc3ccc(-c4ccc(C#N)cc4)cc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 18/20 0.45
▸ HRH1 P35367 18/20 0.45
▸ HRH3 Q9Y5N1 16/20 0.45
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6985870 0.95 HRH2 (0.47) HRH2HRH1HRH3
SCHEMBL6847679 0.93 GPR119 (0.48) HRH2HRH1HRH3
SCHEMBL6987544 0.91 HRH2 (0.43) HRH2HRH1HRH3
SCHEMBL6981316 0.91 HRH2 (0.44) HRH2HRH1HRH3
SCHEMBL6848079 0.90 HRH2 (0.44) HRH2HRH1HRH3
SCHEMBL6983301 0.89 HRH2 (0.42) HRH2HRH1HRH3
SCHEMBL6847335 0.88 USP30 (0.42) HRH2HRH1HRH3
SCHEMBL6987654 0.86 HRH2 (0.41) HRH2HRH1HRH3
SCHEMBL6847427 0.86 HRH2 (0.62) HRH2HRH1HRH3ALDH1A1
SCHEMBL6847471 0.86 HRH3 (0.42) HRH2HRH1HRH3

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-1301480-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2003-04-16 — — EP disclosed
WO-2002006223-A1 1,3-DISUBSTITUTED AND 1,3,3-TRISUBSTITUTED PYRROLIDINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-01-24 — — WO disclosed