SCHEMBL15019554

SCHEMBL15019554

CC(COC(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 7/20 0.40
▸ SLC6A2 P23975 6/20 0.40
▸ SLC6A4 P31645 5/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GPR88 Q9GZN0 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
SCHEMBL2691265 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL26725876 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL3693305 0.72 SLC6A11 (0.49) SLC6A3SLC6A2SLC6A4CYP1A2CYP2D6
SCHEMBL10326678 0.70 KDM4E (0.44) SLC6A3SLC6A2SLC6A4KDM4ENPC1
SCHEMBL10326766 0.70 KDM4E (0.44) SLC6A3SLC6A2SLC6A4KDM4ENPC1
SCHEMBL10326575 0.70 KDM4E (0.44) SLC6A3SLC6A2SLC6A4KDM4ENPC1
SCHEMBL22259841 0.69 KDM4E (0.46) SLC6A3SLC6A2SLC6A4KDM4ENPC1
SCHEMBL22260329 0.69 KDM4E (0.43) SLC6A3SLC6A2SLC6A4KDM4ENPC1
SCHEMBL22259927 0.69 KDM4E (0.43) SLC6A3SLC6A2SLC6A4KDM4ENPC1
SCHEMBL25968625 0.69 KDM4E (0.43) SLC6A3SLC6A2SLC6A4KDM4ENPC1

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-2791133-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF Seragon Pharmaceuticals, Inc. (US) 2014-10-22 — — EP disclosed
WO-2013090836-A1 FLUORINATED ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ARAGON PHARMACEUTICALS, INC. (US) 2013-06-20 — — WO disclosed
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