SCHEMBL6421841

SCHEMBL6421841

COc1ccc2c(c1)CCC(c1ccc(OC)cc1N1Cc3ccc(OCCN4CCCCC4)cc3C1)C2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.48
SLC6A4 P31645 2/20 0.45
MAOB P27338 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 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
SCHEMBL6420495 1.00 HRH3 (0.48) HRH3SLC6A4MAOBESR1ESR2
SCHEMBL225135 0.88 ESR1 (0.49) HRH3SLC6A4ESR1ESR2
SCHEMBL228108 0.88 ESR1 (0.49) HRH3SLC6A4ESR1ESR2
SCHEMBL4417105 0.86 DRD2 (0.41)
SCHEMBL227666 0.83 DRD2 (0.41) HRH3SLC6A4ESR1ESR2
SCHEMBL227766 0.80 LTA4H (0.49) HRH3MAOBESR1ESR2
SCHEMBL226814 0.80 HRH3 (0.46) HRH3SLC6A4MAOBESR1ESR2
SCHEMBL225012 0.80 HRH3 (0.46) HRH3SLC6A4MAOBESR1ESR2
SCHEMBL229972 0.80 LTA4H (0.49) HRH3MAOBESR1ESR2
SCHEMBL225651 0.80 CYP26A1 (0.47) ESR1ESR2

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
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed