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SCHEMBL2483567

SCHEMBL2483567

CN(Cc1cccc2c1OCC2)C(=O)CCCSc1ccc(O)cc1.CN(Cc1ccccc1O)C(=O)CCCSc1ccc(O)cc1.COc1ccccc1CN(C)C(=O)CCCCc1ccc(O)cc1.COc1ccccc1CN(C)C(=O)CCCSc1ccc(NC(C)=O)cc1.COc1ccccc1CN(C)C(=O)CCCSc1ccccc1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 8/20 0.34
▸ ACHE P22303 8/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ TSHR P16473 6/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL416747 0.78 PARP1 (0.35) BCHEACHECHRM2CHRM1NPC1
SCHEMBL416303 0.76 NPC1 (0.53) BCHEACHECHRM2CHRM1NPC1
SCHEMBL413455 0.73 ACHE (0.54) BCHEACHECHRM2CHRM1
SCHEMBL414656 0.73 ACHE (0.54) BCHEACHECHRM2CHRM1
SCHEMBL415638 0.72 ACHE (0.56) BCHEACHECHRM2CHRM1
SCHEMBL415418 0.71 ACHE (0.59) BCHEACHECHRM2CHRM1
SCHEMBL419661 0.69 RAB9A (0.43) BCHEACHECHRM2CHRM1NPC1
SCHEMBL414439 0.67 KMT2A (0.49) BCHEACHECHRM2CHRM1NPC1
SCHEMBL412451 0.66 ACHE (0.54) BCHEACHECHRM2CHRM1NPC1
SCHEMBL415188 0.66 ACHE (0.54) BCHEACHECHRM2CHRM1NPC1

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