SCHEMBL8818072

SCHEMBL8818072

c1cnn(-c2ccc(CNC3CCCCCC3)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.60
▸ POLB P06746 1/20 0.53
▸ HDAC1 Q13547 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ CXCR4 P61073 2/20 0.46
▸ CXCL12 P48061 1/20 0.46
▸ PARP1 P09874 1/20 0.43
▸ ACHE P22303 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL10953965 0.81 HRH3 (0.88) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL8811827 0.80 HRH3 (0.54) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL9056638 0.77 HRH3 (0.54) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL9062963 0.77 HRH3 (0.54) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL8808479 0.77 HRH3 (0.54) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL5863541 0.76 HRH3 (0.67) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL8810828 0.76 HRH3 (0.62) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL25992753 0.74 HRH3 (0.63) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL8812183 0.74 HRH3 (0.64) HRH3POLBHDAC1KDM4EALDH1A1
SCHEMBL8807913 0.74 HRH3 (0.54) 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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