SCHEMBL8810828

SCHEMBL8810828

c1ccn(-c2ccc(CNC3CCCCCC3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.62
▸ POLB P06746 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HDAC1 Q13547 1/20 0.50
▸ CXCR4 P61073 2/20 0.47
▸ CXCL12 P48061 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ PKM P14618 1/20 0.45
▸ VHL P40337 1/20 0.44
▸ ELOC Q15369 1/20 0.44
▸ ELOB Q15370 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 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
SCHEMBL8807545 0.83 ALDH1A1 (0.54) HRH3POLBALDH1A1MEN1KMT2A
SCHEMBL10953965 0.82 HRH3 (0.88) HRH3POLBALDH1A1MEN1KMT2A
SCHEMBL8808479 0.81 HRH3 (0.54) HRH3POLBALDH1A1LMNAHDAC1
SCHEMBL8811827 0.78 HRH3 (0.54) HRH3POLBALDH1A1MEN1KMT2A
SCHEMBL24574127 0.77 HRH3 (0.71) HRH3POLBALDH1A1MEN1KMT2A
SCHEMBL294763 0.77 HRH3 (0.71) HRH3POLBALDH1A1MEN1KMT2A
SCHEMBL10789534 0.77 HRH3 (0.71) HRH3POLBALDH1A1MEN1KMT2A
SCHEMBL1847296 0.77 HRH3 (0.71) HRH3POLBALDH1A1MEN1KMT2A
SCHEMBL8818072 0.76 HRH3 (0.60) HRH3POLBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11782513 0.75 HRH3 (0.69) HRH3POLBALDH1A1MEN1KMT2A

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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