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SCHEMBL4953510

SCHEMBL4953510

C[N]c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 19/20 0.72
▸ NR1H2 P55055 19/20 0.72
▸ RXRA P19793 2/20 0.72
▸ MEN1 O00255 1/20 0.70
▸ NR1I2 O75469 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ MAPT P10636 1/20 0.70
▸ VHL P40337 1/20 0.70
▸ RECQL P46063 1/20 0.70
▸ BLM P54132 1/20 0.70
▸ KMT2A Q03164 1/20 0.70

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
SCHEMBL4949862 0.88 NR1H3 (0.79) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4950075 0.88 NR1H3 (0.76) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4951148 0.88 NR1H3 (0.76) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4950865 0.88 NR1H3 (0.82) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4947572 0.88 NR1H3 (0.78) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4948361 0.87 NR1H3 (0.72) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4947938 0.87 NR1H3 (0.80) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4951771 0.86 NR1H3 (0.73) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4950540 0.86 NR1H3 (0.75) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4950569 0.86 NR1H3 (0.75) NR1H3NR1H2RXRAMEN1NR1I2

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
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 — — US disclosed