SCHEMBL9967005

SCHEMBL9967005

CN1CCN(CCOc2ccc(Cc3c(OCCO)ccc4ccccc34)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.58
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ DRD3 P35462 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ GCGR P47871 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL9966973 0.95 LTA4H (0.57) LTA4HESR1ESR2MEN1KMT2A
SCHEMBL9966793 0.94 LTA4H (0.56) LTA4HESR1ESR2MEN1KMT2A
SCHEMBL9967008 0.92 LTA4H (0.56) LTA4HESR1ESR2HRH3OPRK1
SCHEMBL9942715 0.91 ESR1 (0.57) LTA4HESR1ESR2HRH3OPRK1
SCHEMBL9940337 0.91 ESR1 (0.57) LTA4HESR1ESR2HRH3OPRK1
SCHEMBL9967004 0.89 LTA4H (0.50) LTA4HESR1ESR2HRH3OPRK1
SCHEMBL9967009 0.89 LTA4H (0.58) LTA4HESR1ESR2NPC1RAB9A
SCHEMBL9966797 0.87 LTA4H (0.55) LTA4HESR1ESR2MEN1KMT2A
SCHEMBL9966888 0.87 ESR1 (0.64) LTA4HESR1ESR2
SCHEMBL9942716 0.87 LTA4H (0.55) LTA4HDRD3HRH3OPRK1GCGR

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
WO-2012079154-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS DALHOUSIE UNIVERSITY (CA) 2012-06-21 — — WO disclosed
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