SCHEMBL9701885

SCHEMBL9701885

C=C=C(CN)COc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL9702182 0.73
SCHEMBL9702021 0.73 MAOB (0.50) TAAR1
SCHEMBL707494 0.72 KDM4E (0.44)
SCHEMBL3504982 0.71 MAOB (0.57)
SCHEMBL18906071 0.68 TAAR1 (0.45) TAAR1
SCHEMBL341114 0.68 ALOX15 (0.50)
SCHEMBL9701657 0.68 AOC2 (0.55)
SCHEMBL9701919 0.68 MEN1 (0.43)
SCHEMBL11008232 0.67 KMT2A (0.39)
SCHEMBL724289 0.67 GSK3B (0.40)

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-5120764-A Administering penicillamine and allenylamines to inhibit crosslinking of collagen MERRELL DOW PHARMACEUTICALS INC. (US) 1992-06-09 US disclosed
EP-0374440-A2 Inhibitors of lysyl oxidase MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed