SCHEMBL3808873

SCHEMBL3808873

COc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C(=O)O)CC2)cc1.COc1ccc(S(=O)(=O)N(c2ccccc2)C2CCN(C(=O)O)[C@H](N(Cc3ccccc3)Cc3ccccc3)C2CCCc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.39
▸ CHRM5 P08912 3/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ CAMK2A Q9UQM7 2/20 0.38
▸ MMP1 P03956 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ CAMK2G Q13555 1/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ BMP1 P13497 2/20 0.37
▸ TAS2R14 Q9NYV8 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CXCR3 P49682 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL4911423 0.73 HTR2A (0.33) MEN1KMT2AALDH1A1
SCHEMBL3810612 0.73 HTR2A (0.33) MEN1KMT2AALDH1A1
SCHEMBL7141278 0.71 OPRM1 (0.60) OPRM1MMP1MMP9MMP13CHRM1
SCHEMBL3724780 0.71 TAS2R14 (0.44) KCNA5CHRM5CAMK2AMMP1MMP9
SCHEMBL3635250 0.70 LMNA (0.51) KCNA5CHRM5CAMK2AMMP1MMP9
SCHEMBL3634464 0.69 MEN1 (0.47) KCNA5CHRM5CAMK2AMMP1MMP9
SCHEMBL3634460 0.69 MEN1 (0.47) KCNA5CHRM5CAMK2AMMP1MMP9
SCHEMBL3806319 0.69 CHRM5 (0.36) KCNA5CHRM5CAMK2AMMP1MMP13
SCHEMBL3722537 0.69 OPRM1 (0.39) CHRM5OPRM1CHRM1CHRM3CNR1
SCHEMBL7141686 0.68 CHRM2 (0.61) OPRM1MMP1MMP9MMP13CHRM3

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-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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