SCHEMBL9537601

SCHEMBL9537601

COc1cc(Br)c2c(c1)C1(C)CCN(CC=C(C)C)C1N2C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.45
BCHE P06276 3/20 0.42
ACHE P22303 1/20 0.41
OPRM1 P35372 5/20 0.40
TMEM97 Q5BJF2 4/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
EBP Q15125 1/20 0.40

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
SCHEMBL9540615 0.87 SIGMAR1 (0.48) SIGMAR1BCHEOPRM1TMEM97OPRD1
SCHEMBL9537715 0.87 ACHE (0.52) SIGMAR1BCHEACHEEBP
SCHEMBL9541201 0.84 ACHE (0.38) BCHEACHE
Bromide SCHEMBL9538514 0.83 ACHE (0.37) BCHEACHE
SCHEMBL9538614 0.83 ACHE (0.37) SIGMAR1BCHEACHEOPRM1OPRD1
Bromide SCHEMBL9539133 0.82 ACHE (0.37) SIGMAR1BCHEACHEOPRM1OPRD1
SCHEMBL9538866 0.82 BCHE (0.41) SIGMAR1BCHEACHEOPRM1TMEM97
SCHEMBL9540887 0.82 ACHE (0.58) BCHEACHEOPRM1OPRK1
SCHEMBL9538266 0.81 OPRD1 (0.42) OPRM1OPRD1OPRK1
SCHEMBL2457355 0.81 OPRD1 (0.42) OPRM1OPRD1OPRK1

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