SCHEMBL2487823

SCHEMBL2487823

CN(Cc1cccc2c1OCO2)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccccc1C(F)(F)F)C(=O)CCCSc1ccc(O)cc1.COc1ccccc1CN(C)C(=O)CCCSc1ccc(C(F)(F)F)cc1.COc1ccccc1CN(C)C(=O)CCCSc1ccc(C(F)(F)F)cn1.COc1ccccc1CN(C)C(=O)CCCSc1ccc2ccccc2n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 3/20 0.32
▸ MAPT P10636 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ACHE P22303 6/20 0.31
▸ BCHE P06276 5/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL414451 0.78 BCHE (0.46) NPC1RAB9AACHEBCHECHRM2
SCHEMBL2482378 0.77 — —
SCHEMBL419503 0.75 ACHE (0.52) PRNPMAPTNPC1ACHEBCHE
SCHEMBL417570 0.74 ACHE (0.50) ACHEBCHECHRM2CHRM1KMT2A
SCHEMBL412492 0.74 ALDH1A1 (0.38) MAPTALDH1A1KMT2ALMNAHTT
SCHEMBL2486398 0.72 PRNP (0.36) PRNPMAPTNPC1RAB9AALDH1A1
SCHEMBL413023 0.71 ACHE (0.52) NPC1RAB9AACHEBCHEALDH1A1
SCHEMBL413455 0.71 ACHE (0.54) ACHEBCHECHRM2CHRM1KMT2A
SCHEMBL415638 0.68 ACHE (0.56) ACHEBCHECHRM2CHRM1KMT2A
SCHEMBL414416 0.68 ACHE (0.48) MAPTNPC1RAB9AACHEBCHE

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-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 — — EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 — — WO disclosed
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