SCHEMBL10829728

SCHEMBL10829728

Cc1cccc(CC(OCC(O)CN2CCC(O)(c3ccccc3)CC2)C(=O)c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.52
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
OPRL1 P41146 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
DRD2 P14416 1/20 0.39

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
SCHEMBL10830098 0.90 ABCB1 (0.55) ABCB1OPRL1OPRM1OPRD1DRD2
SCHEMBL10829832 0.90 ABCB1 (0.54) ABCB1
Hydrochloric Acid SCHEMBL10830575 0.90 ABCB1 (0.57) ABCB1OPRL1OPRM1OPRD1OPRK1
SCHEMBL10829690 0.90 ABCB1 (0.50) ABCB1OPRL1OPRM1OPRD1OPRK1
SCHEMBL10829939 0.90 ABCB1 (0.50) ABCB1OPRL1OPRM1OPRD1OPRK1
SCHEMBL10829592 0.89 ABCB1 (0.52) ABCB1OPRL1DRD2
Hydrochloric Acid SCHEMBL10830729 0.89 ABCB1 (0.51) ABCB1CHRM2CHRM3OPRL1OPRM1
SCHEMBL10829681 0.87 ABCB1 (0.51) ABCB1
SCHEMBL10829649 0.87 ABCB1 (0.49) ABCB1
SCHEMBL10829774 0.86 ABCB1 (0.52) ABCB1OPRL1DRD2

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-4571409-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1986-02-18 US disclosed
US-4540697-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed