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SCHEMBL3261922

SCHEMBL3261922

Cc1cc(C(F)(F)F)ccc1C(=O)NC(c1ccccc1)C1(N2CCCC2)CCC1.O=C(NC(c1ccccc1)C1(N2CCCC2)CCC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 12/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ KCNH2 Q12809 2/20 0.41
▸ MTTP P55157 2/20 0.40
▸ KLRK1 P26718 2/20 0.40
▸ MICA Q29983 2/20 0.40
▸ RAET1L Q5VY80 2/20 0.40
▸ P2RX7 Q99572 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1348399 0.92 SLC6A9 (0.50) SLC6A9MTTPKLRK1MICARAET1L
SCHEMBL1349461 0.88 SLC6A9 (0.43) SLC6A9MEN1KMT2A
SCHEMBL1350574 0.88 MEN1 (0.50) SLC6A9MEN1KMT2AP2RX7ALDH1A1
SCHEMBL1350491 0.84 SLC6A9 (0.48) SLC6A9MEN1KMT2A
SCHEMBL1350222 0.83 SLC6A9 (0.49) SLC6A9MTTPKLRK1MICARAET1L
SCHEMBL1348590 0.83 SLC6A9 (0.49) SLC6A9MTTPKLRK1MICARAET1L
SCHEMBL1349947 0.82 KLRK1 (0.41) SLC6A9MTTPKLRK1MICARAET1L
SCHEMBL1349999 0.82 SLC6A9 (0.50) SLC6A9MTTPKLRK1MICARAET1L
SCHEMBL1347772 0.81 SLC6A9 (0.53) SLC6A9MEN1KMT2AMTTPKLRK1
SCHEMBL1349364 0.81 SLC6A9 (0.53) SLC6A9MTTPKLRK1MICARAET1L

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-2010020548-A1 GLYT1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-25 — — WO disclosed