SCHEMBL8035908

SCHEMBL8035908

NCCCCCCOc1cccc(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.57
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KCNH2 Q12809 1/20 0.54
KMT2A Q03164 1/20 0.54
WDR5 P61964 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MAOB P27338 1/20 0.49
AOC3 Q16853 1/20 0.49

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
SCHEMBL6846964 0.98 DRD2 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL6846799 0.93 DRD2 (0.58) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL3167075 0.87 LMNA (0.59) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL9774806 0.83 DRD2 (0.60) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL9808215 0.82 LMNA (0.67) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL10632624 0.82 HRH3 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL8778541 0.82 HRH3 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL8955728 0.82 HRH3 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL28540629 0.82 HRH3 (0.57) HRH3DRD2DRD4LMNAMAPK1
SCHEMBL1685432 0.81 DRD2 (0.62) HRH3DRD2DRD4LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984940-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-03-15 EP disclosed
WO-1998054147-A1 CYANOAMIDINES AS CELL PROLIFERATION INHIBITORS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1998-12-03 WO disclosed
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed