SCHEMBL9537741

SCHEMBL9537741

CN1c2c(Br)cc(O)cc2C2(C)CCN(CCc3ccccc3)C12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.53
OPRK1 P41145 2/20 0.53
OPRD1 P41143 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
BCHE P06276 3/20 0.51
ACHE P22303 3/20 0.51

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
SCHEMBL2459773 1.00 OPRM1 (0.53) OPRM1OPRK1OPRD1L3MBTL1BCHE
SCHEMBL2459774 1.00 OPRM1 (0.53) OPRM1OPRK1OPRD1L3MBTL1BCHE
Salicylic Acid SCHEMBL9538265 0.91 BCHE (0.48) OPRM1OPRK1OPRD1L3MBTL1BCHE
SCHEMBL9540882 0.86 BCHE (0.55) BCHEACHE
SCHEMBL2459728 0.86 BCHE (0.55) BCHEACHE
SCHEMBL2459729 0.86 BCHE (0.55) BCHEACHE
Bromide SCHEMBL9539186 0.85 BCHE (0.54) BCHEACHE
SCHEMBL9537701 0.84 OPRM1 (0.47) OPRM1OPRK1OPRD1
SCHEMBL9539147 0.83 OPRM1 (0.44) OPRM1OPRK1OPRD1
SCHEMBL2455820 0.83 BCHE (0.51) OPRM1OPRK1OPRD1L3MBTL1BCHE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed