SCHEMBL13980407

SCHEMBL13980407

O=C(OCCCN(Cc1ccccc1)CC1C=CC=CC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 4/20 0.51
▸ CHRM2 P08172 2/20 0.51
▸ CHRM4 P08173 2/20 0.51
▸ CHRM5 P08912 2/20 0.51
▸ CHRM3 P20309 2/20 0.51
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ OPRM1 P35372 3/20 0.45
▸ OPRK1 P41145 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.45
▸ TACR2 P21452 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ DRD5 P21918 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ ADRA1D P25100 1/20 0.45

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
SCHEMBL13980434 0.90 CHRM1 (0.47) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1835311 0.88 CHRM1 (0.61) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1833174 0.85 CHRM1 (0.58) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL3630837 0.85 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM5CHRM3
Hydrochloric Acid SCHEMBL1835308 0.84 CHRM1 (0.57) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1833497 0.84 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1832773 0.84 CHRM1 (0.56) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL1833085 0.83 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13980481 0.83 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL13980480 0.83 CHRM2 (0.50) CHRM1CHRM2CHRM4CHRM5CHRM3

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
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 disclosed
EP-1997381-A1 Use of a compound having a monogalactosyldiacylglycerol synthase inhibitory activity as herbicide or algaecide, herbicide and algaecide compositions Commissariat à l'Energie Atomique (FR) 2008-12-03 — — EP disclosed
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