SCHEMBL8808906

SCHEMBL8808906

c1ccc(C(c2ccccc2)(c2ccccc2)n2cc(-c3ccc(CNC4CCCCCC4)cc3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.55
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CXCR4 P61073 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HTR5A P47898 1/20 0.39
▸ BCHE P06276 3/20 0.39
▸ ACHE P22303 3/20 0.39
▸ BACE1 P56817 3/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ FABP6 P51161 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ PARP1 P09874 1/20 0.37

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
SCHEMBL8816552 0.83 SLC6A2 (0.41) HRH3MEN1KMT2AHDAC1KDM4E
SCHEMBL8808730 0.78 HRH3 (0.67) HRH3MEN1KMT2ARAB9ACXCR4
SCHEMBL24093171 0.77 HRH3 (0.86) HRH3MEN1KMT2ARAB9ACXCR4
SCHEMBL8809487 0.77 HRH3 (0.86) HRH3MEN1KMT2ARAB9ACXCR4
SCHEMBL29771432 0.77 L3MBTL1 (0.41) MEN1KMT2ARAB9A
SCHEMBL16249332 0.75 MEN1 (0.83) HRH3MEN1KMT2ARAB9ACXCR4
SCHEMBL8814676 0.75 L3MBTL1 (0.40) ALDH1A1
SCHEMBL8813574 0.72 AGTR1 (0.47) HRH3MEN1KMT2ARAB9ACXCR4
SCHEMBL294763 0.71 HRH3 (0.71) HRH3MEN1KMT2ARAB9AHDAC1
SCHEMBL24574127 0.71 HRH3 (0.71) HRH3MEN1KMT2ARAB9AHDAC1

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