SCHEMBL8812898

SCHEMBL8812898

c1ccc(C(c2ccccc2)(c2ccccc2)n2nnnc2-c2cccc(CNC3CCCCCC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ CARM1 Q86X55 2/20 0.41
▸ PRMT6 Q96LA8 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ CXCR4 P61073 1/20 0.38
▸ HTR5A P47898 1/20 0.38
▸ VCP P55072 1/20 0.38

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
SCHEMBL8813574 0.83 AGTR1 (0.47) ACHEBACE1POLBHRH3BCHE
SCHEMBL8814155 0.80 ALDH1A1 (0.51) MAP4K4ACHEBACE1CARM1PRMT6
SCHEMBL8809135 0.76 MAP4K4 (0.45) MAP4K4ACHEBACE1CARM1PRMT6
SCHEMBL8807848 0.75 HRH3 (0.62) MAP4K4ACHEBACE1CARM1PRMT6
SCHEMBL976147 0.72 LMNA (0.47) POLBALDH1A1
SCHEMBL8811824 0.71 ALDH1A1 (0.48) MAP4K4CARM1PRMT6POLBKCNH2
SCHEMBL9057690 0.71 AGTR1 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL7611179 0.71 MAOA (0.43) POLBALDH1A1
SCHEMBL9252404 0.69 ALDH1A1 (0.68) POLBKCNH2ALDH1A1PARP1HRH3
SCHEMBL11509945 0.69 ALDH1A1 (0.68) POLBKCNH2ALDH1A1PARP1HRH3

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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