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SCHEMBL2481990

SCHEMBL2481990

CCOC(=O)N1CCN(c2ccccc2CN(C)C(=O)CCCSc2ccc(O)cc2)CC1.CN(C)CCOc1ccccc1CN(C)C(=O)CCCSc1ccc(F)cc1.CN(Cc1cccc(Cl)c1Cl)C(=O)CCCSc1ccc(F)cc1.CN(Cc1ccccc1C(=O)O)C(=O)CCCSc1ccc(O)cc1.COC(=O)c1ccccc1CN(C)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.34
▸ HTR1A P08908 4/20 0.34
▸ HTR2A P28223 4/20 0.34
▸ SMN1; SMN2 Q16637 6/20 0.32
▸ MAPT P10636 5/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ DRD4 P21917 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL2481988 0.94 DRD2 (0.31) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL417266 0.77 SMN1; SMN2 (0.49) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL414615 0.74 L3MBTL1 (0.42) SMN1; SMN2NPC1ALDH1A1RAB9ALMNA
SCHEMBL414273 0.72 BCHE (0.48) DRD2SMN1; SMN2ALDH1A1DRD4LMNA
SCHEMBL417466 0.71 L3MBTL1 (0.42) ALDH1A1LMNAGAAKMT2AL3MBTL1
SCHEMBL417690 0.70 SMN1; SMN2 (0.39) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL417118 0.70 BCHE (0.39) MAPTNPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL418901 0.69 ALDH1A1 (0.40) SMN1; SMN2MAPTNPC1ALDH1A1RAB9A
SCHEMBL418204 0.69 BCHE (0.40) SMN1; SMN2MAPTALDH1A1RAB9ALMNA
SCHEMBL414601 0.69 ALDH1A1 (0.40) DRD2MAPTALDH1A1DRD4DRD3

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