SCHEMBL7033221

SCHEMBL7033221

O=CC(Cc1cscn1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.41
▸ ADRB1 P08588 1/20 0.41
▸ ADRB3 P13945 1/20 0.41
▸ SLC6A3 Q01959 10/20 0.41
▸ KCNH2 Q12809 3/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.37
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ CFTR P13569 1/20 0.35
▸ GOPC Q9HD26 1/20 0.35
▸ KCNA5 P22460 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ KCNN4 O15554 1/20 0.33

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
SCHEMBL7045556 0.71 SMN1; SMN2 (0.47) SLC6A3SLC6A2SLC6A4CFTRGOPC
SCHEMBL30434450 0.71 SMN1; SMN2 (0.46) SLC6A3KCNH2SLC6A2SLC6A4CFTR
SCHEMBL27626896 0.71 CFTR (0.44) SLC6A3KCNH2SLC6A2SLC6A4CFTR
SCHEMBL27725257 0.70 CYP1A2 (0.37) ADRB2ADRB1ADRB3KDM4CCFTR
SCHEMBL16297957 0.70 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4SMN1; SMN2LMNA
SCHEMBL27787771 0.69 SLC6A2 (0.52) SLC6A3KCNH2SLC6A2SLC6A4CFTR
SCHEMBL27501037 0.69 ADRB2 (0.38) ADRB2ADRB1ADRB3SLC6A3KCNH2
SCHEMBL27921940 0.68 ADRB2 (0.39) ADRB2ADRB1ADRB3SLC6A3KCNH2
SCHEMBL9682763 0.67 NAPRT (0.42) ADRB2ADRB1ADRB3SLC6A3SLC6A2
SCHEMBL28900068 0.67 CYP2A6 (0.44) SLC6A3SLC6A2SLC6A4CFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0676409-B1 Erythromycin derivatives, their process for preparation and their application as medicaments AVENTIS PHARMA SA (FR) 2003-03-19 — — EP claimed
EP-0676409-B1 Erythromycin derivatives, their process for preparation and their application as medicaments AVENTIS PHARMA SA (FR) 2003-03-19 — — EP disclosed
CN-1059445-C Novel derivatives of erythromycin, their preparation and their use as medicaments ROUSSEL UCLAF (FR) 2000-12-13 — — CN disclosed
CN-1126997-A Novel erythromycin derivatives, method for preparing same and use thereof as drugs ROUSSEL UCLAF (FR) 1996-07-17 — — CN disclosed
EP-0676409-A1 Erythromycin derivatives, their process for preparation and their application as medicaments ROUSSEL UCLAF (FR) 1995-10-11 — — EP disclosed
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