SCHEMBL8807913

SCHEMBL8807913

c1cnn(Cc2ccc(CNC3CCCCCC3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.54
▸ POLB P06746 1/20 0.51
▸ ACHE P22303 4/20 0.50
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ BACE1 P56817 2/20 0.45
▸ BCHE P06276 1/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43

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
SCHEMBL8811827 0.81 HRH3 (0.54) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL10953965 0.76 HRH3 (0.88) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL8810497 0.75 HRH3 (0.54) HRH3POLBKDM4EALDH1A1PKM
SCHEMBL8810828 0.75 HRH3 (0.62) HRH3POLBACHEHDAC1KDM4E
SCHEMBL8818072 0.74 HRH3 (0.60) HRH3POLBACHEHDAC1KDM4E
SCHEMBL28658862 0.73 RAD52 (0.42) HRH3KDM4EALDH1A1GAA
SCHEMBL19650814 0.72 BRD4 (0.50) HRH3ACHEKDM4EALDH1A1BACE1
SCHEMBL5863714 0.72 POLB (0.93) HRH3POLBACHEHDAC1BACE1
SCHEMBL3862351 0.72 HRH3 (0.72) HRH3POLBACHEHDAC1KDM4E
SCHEMBL17335877 0.72 HRH3 (0.72) HRH3POLBHDAC1KDM4EALDH1A1

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
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