SCHEMBL8396229

SCHEMBL8396229

O=CN(OCCc1ccccc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
OPRM1 P35372 6/20 0.40
OPRK1 P41145 5/20 0.40
OPRD1 P41143 4/20 0.40
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.38
G6PC1 P35575 1/20 0.37
SLC18A2 Q05940 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL8392424 0.98 L3MBTL1 (0.45) L3MBTL1OPRM1OPRK1OPRD1USP2
SCHEMBL8395642 0.98 L3MBTL1 (0.45) L3MBTL1OPRM1OPRK1OPRD1USP2
SCHEMBL8396298 0.98 OPRM1 (0.41) L3MBTL1OPRM1OPRK1OPRD1USP2
SCHEMBL8391958 0.94 CA1 (0.38) L3MBTL1OPRM1OPRK1OPRD1EPHX2
SCHEMBL8397670 0.91 OPRM1 (0.46) L3MBTL1OPRM1OPRK1OPRD1EPHX2
SCHEMBL8394782 0.90 OPRM1 (0.45) L3MBTL1OPRM1OPRK1OPRD1USP2
SCHEMBL8394934 0.90 OPRM1 (0.45) L3MBTL1OPRM1OPRK1OPRD1USP2
SCHEMBL8395298 0.90 OPRM1 (0.44) L3MBTL1OPRM1OPRK1OPRD1
SCHEMBL8393611 0.85 MEN1 (0.43) OPRM1OPRK1OPRD1EPHX2
SCHEMBL28601901 0.78 TSHR (0.38) L3MBTL1OPRM1EPHX2

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-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed