SCHEMBL8813574

SCHEMBL8813574

c1ccc(C(c2ccccc2)(c2ccccc2)n2nnnc2-c2ccccc2-c2ccc(CNC3CCCCCC3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.47
▸ MEN1 O00255 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ CD274 Q9NZQ7 2/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ AGT P01019 2/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ CXCR4 P61073 1/20 0.36

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
SCHEMBL8812898 0.83 MAP4K4 (0.42) HRH3POLBBCHEACHEBACE1
SCHEMBL9093218 0.82 AGTR1 (0.48) AGTR1AGTR2MEN1KMT2ACD274
SCHEMBL9024777 0.78 AGTR1 (0.51) AGTR1AGTR2AKT1AGT
SCHEMBL30316147 0.78 AGTR1 (0.51) AGTR1AGTR2AKT1AGT
SCHEMBL3950499 0.78 AGTR1 (0.44) AGTR1AGTR2HRH3AGT
SCHEMBL8532808 0.78 AGTR1 (0.51) AGTR1AGTR2HRH3MEN1KMT2A
SCHEMBL8246839 0.77 AGTR1 (0.50) AGTR1AGTR2AGTPOLB
SCHEMBL4246354 0.77 AGTR1 (0.50) AGTR1AGTR2HRH3AKT1AGT
SCHEMBL29404889 0.77 AGTR1 (0.50) AGTR1AGTR2AGTPOLB
SCHEMBL13146764 0.77 AGTR1 (0.55) AGTR1AGTR2AGT

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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