SCHEMBL9701633

SCHEMBL9701633

C=C=C(CN)Cc1cccc(OC)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.57
IDO1 P14902 2/20 0.49
AGXT P21549 2/20 0.49
CTBP2 P56545 1/20 0.47
MAOB P27338 3/20 0.47
AOC3 Q16853 1/20 0.44

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
SCHEMBL9700877 0.84 TAAR1 (0.39) TAAR1
SCHEMBL9701935 0.81 TAAR1 (0.52) TAAR1IDO1AGXTCTBP2MAOB
SCHEMBL9701625 0.78 DRD2 (0.55) TAAR1CTBP2
SCHEMBL9701676 0.77 KDM4E (0.56) TAAR1AOC3
SCHEMBL23014561 0.76 CTBP2 (0.57) TAAR1IDO1AGXTCTBP2MAOB
SCHEMBL12107934 0.75 TAAR1 (0.56) TAAR1IDO1AGXTCTBP2MAOB
SCHEMBL9701904 0.75 ADRA1A (0.58) TAAR1IDO1AOC3
SCHEMBL9702802 0.75 ADRA1A (0.50) TAAR1
SCHEMBL11109005 0.74 TAAR1 (0.54) TAAR1IDO1AGXTCTBP2MAOB
SCHEMBL13958347 0.74 CTBP2 (0.54) TAAR1IDO1AGXTCTBP2MAOB

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