SCHEMBL4404332

SCHEMBL4404332

CCO[C@H]1O[C@H](COCCCN)[C@H](OCCCN)[C@H](OCCCN)[C@H]1OCCCN

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 11/20 0.52
▸ SSTR1 P30872 7/20 0.52
▸ SSTR2 P30874 7/20 0.52
▸ SSTR3 P32745 7/20 0.52
▸ SSTR5 P35346 6/20 0.52
▸ ADRB2 P07550 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ GJB2 P29033 4/20 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
SCHEMBL14632190 0.87 SSTR4 (0.66) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL13893871 0.87 SSTR4 (0.42) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL4395063 0.85 SSTR1 (0.41) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL13893873 0.85 SSTR1 (0.41) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL6408945 0.84 SSTR4 (0.48) SSTR4SSTR1SSTR2SSTR3SSTR5
Hydrochloric Acid SCHEMBL4400662 0.84 SSTR4 (0.44) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL14670875 0.81 GJB2 (0.45) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL18333049 0.81 GJB2 (0.45) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL16374731 0.81 GJB2 (0.45) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL18332876 0.81 GJB2 (0.45) SSTR4SSTR1SSTR2SSTR3SSTR5

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
US-7524821-B2 Scaffolded maleimide clusters for multivalent peptide assembly UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 2009-04-28 — — US disclosed
US-20050159341-A1 Scaffolded maleimide clusters for multivalent peptide assembly UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE 2005-07-21 — — US disclosed
Send feedback