Sugi Predict

Sugi Predict / Compounds / SCHEMBL18636733

SCHEMBL18636733

SCHEMBL18636733

NC1CN(c2cc(NCC3CC3)ncn2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.48
▸ GPR39 O43194 1/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.43
▸ DPP4 P27487 3/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ KDR P35968 2/20 0.42
▸ PIK3CB P42338 1/20 0.40
▸ CHEK1 O14757 4/20 0.40
▸ CHEK2 O96017 2/20 0.40
▸ PRCP P42785 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
SCHEMBL1775582 0.83 HRH4 (0.55) HRH4GPR39HRH3KCNH2PRCP
SCHEMBL18601599 0.79 HRH4 (0.42) HRH4GPR39HRH3DPP4KCNH2
SCHEMBL1774687 0.79 HRH4 (0.65) HRH4HRH3DPP4KDRPIK3CB
SCHEMBL1775555 0.79 HRH4 (0.65) HRH4GPR39HRH3KDRPIK3CB
SCHEMBL1775075 0.79 HRH4 (0.62) HRH4GPR39HRH3KDRPIK3CB
SCHEMBL1774591 0.79 HRH4 (0.66) HRH4HRH3KCNH2PIK3CB
SCHEMBL4695335 0.78 HRH4 (0.41) HRH4GPR39HRH3DPP4KCNH2
SCHEMBL4695334 0.78 HRH4 (0.41) HRH4GPR39HRH3DPP4KCNH2
SCHEMBL604836 0.78 HRH4 (0.67) HRH4GPR39HRH3KCNH2
SCHEMBL1773851 0.78 HRH4 (0.67) HRH4GPR39HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 — — EP disclosed