SCHEMBL11565284

SCHEMBL11565284

CCCCCCCN1CCC(Nc2ccccc2)(C(=O)OCC)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 2/20 0.51
OPRM1 P35372 6/20 0.48
OPRD1 P41143 4/20 0.47
OPRK1 P41145 3/20 0.47
KCNH2 Q12809 1/20 0.46
OPRL1 P41146 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45

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
SCHEMBL11567575 0.86 CA12 (0.48) KCNA3OPRM1OPRD1OPRK1OPRL1
SCHEMBL11567947 0.86 OPRM1 (0.52) OPRM1KCNH2OPRL1CA12CA1
SCHEMBL11565276 0.85 OPRM1 (0.51) KCNA3OPRM1OPRD1OPRK1KCNH2
SCHEMBL11565095 0.85 CA12 (0.59) KCNA3OPRM1OPRD1OPRK1CA12
SCHEMBL11563362 0.85 DRD3 (0.53) OPRM1KCNH2OPRL1CA12CA1
SCHEMBL2985764 0.82 CYP2D6 (0.60) OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL11455428 0.81 CYP2D6 (0.58) OPRM1OPRD1OPRK1
SCHEMBL5333674 0.81 OPRM1 (0.49) OPRM1OPRD1OPRK1KCNH2
SCHEMBL11566308 0.81 CA12 (0.47) OPRM1OPRD1OPRK1KCNH2CA12
SCHEMBL11568939 0.81 OPRM1 (0.54) KCNA3OPRM1OPRD1OPRK1CA12

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-4179569-A ANALGESIC INTERMEDIATES JANSSEN PHARMACEUTICA N.V. (BE) 1979-12-18 US disclosed