SCHEMBL9702218

SCHEMBL9702218

C=C=C(CN)COc1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
DRD2 P14416 2/20 0.39
DRD1 P21728 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DRD4 P21917 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
FFAR1 O14842 1/20 0.38
MAPK1 P28482 1/20 0.38
ENPP2 Q13822 1/20 0.37

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
SCHEMBL9702021 0.82 MAOB (0.50) TAAR1FFAR1
SCHEMBL9701922 0.80 ESR1 (0.41)
SCHEMBL9703320 0.78 AGXT (0.54) MAPK1
SCHEMBL9703273 0.75 LMNA (0.37) MAPK1
SCHEMBL9502826 0.74 CHRNB2 (0.61) APPCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3788266 0.74 CHRNB2 (0.55) APPCHRNB2CHRNA4CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL1436655 0.73 CHRNB2 (0.59) APPCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20978768 0.73 CHRNB2 (0.59) APPCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL9703429 0.72 MAOB (0.49) TAAR1
SCHEMBL9701625 0.72 DRD2 (0.55) DRD2DRD1TAAR1DRD4DRD3

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