SCHEMBL9316755

SCHEMBL9316755

CNC(=O)Oc1cccc(C2CCCN2CC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.52
OPRK1 P41145 8/20 0.52
OPRD1 P41143 7/20 0.52
ACHE P22303 7/20 0.46
THRB P10828 1/20 0.43
KDM2B Q8NHM5 2/20 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
SCHEMBL8542776 0.89 ACHE (0.58) OPRM1OPRK1OPRD1ACHETHRB
SCHEMBL8542915 0.85 OPRK1 (0.50) OPRM1OPRK1OPRD1ACHE
SCHEMBL8539296 0.83 ACHE (0.50) OPRM1OPRK1OPRD1ACHE
SCHEMBL8539614 0.83 ACHE (0.52) OPRM1OPRK1ACHE
SCHEMBL8538305 0.82 OPRK1 (0.48) OPRM1OPRK1OPRD1ACHETHRB
SCHEMBL8539650 0.82 ACHE (0.46) ACHE
SCHEMBL8872363 0.81 THRB (0.60) OPRM1OPRK1THRBKDM2B
SCHEMBL8541500 0.81 ACHE (0.43) OPRM1OPRK1OPRD1ACHE
SCHEMBL8543721 0.80 ACHE (0.45) ACHE
SCHEMBL8546135 0.80 ACHE (0.47) ACHE

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-5338739-A Memory dysfunction relieving compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-16 US disclosed