SCHEMBL1842600

SCHEMBL1842600

CC(C)(C)OC(=O)N(Cc1ccccc1)[C@H]1C(CCCc2ccccc2)C(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O.O=C(O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.44
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ HSD11B1 P28845 6/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PAX8 Q06710 1/20 0.39
▸ TNKS O95271 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39

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
SCHEMBL3403834 0.94 CCR5 (0.40) CCR5BCHEACHEHSD11B1CHRM1
SCHEMBL1838770 0.87 OPRM1 (0.46) BCHEACHEHSD11B1CHRM1CHRM2
SCHEMBL1841721 0.87 OPRM1 (0.46) BCHEACHEHSD11B1CHRM1CHRM2
SCHEMBL1838526 0.82 KDM4E (0.43) BCHEACHEHSD11B1CHRM1CHRM2
SCHEMBL3398294 0.81 OPRK1 (0.43) BCHEACHECHRM1CHRM2CHRM3
SCHEMBL3398324 0.81 OPRK1 (0.43) BCHEACHECHRM1CHRM2CHRM3
SCHEMBL1838951 0.78 BCHE (0.41) BCHEACHEHSD11B1CHRM1CHRM2
SCHEMBL1838918 0.75 OPRM1 (0.44) CCR5BCHEACHEHSD11B1CHRM1
SCHEMBL1837775 0.75 TNKS (0.44) BCHEACHECHRM1CHRM2CHRM4
SCHEMBL1844470 0.75 OPRM1 (0.48) BCHEACHEHSD11B1CHRM1CHRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 — — EP claimed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 — — EP claimed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 — — EP claimed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 — — WO claimed
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