SCHEMBL8808220

SCHEMBL8808220

c1ccc(-c2ccc(CNC3CCCCCC3)cc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.64
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TGFBR1 P36897 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ BRS3 P32247 1/20 0.47
▸ CXCR4 P61073 2/20 0.47
▸ LTA4H P09960 2/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ OPRM1 P35372 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ HTT P42858 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
SCHEMBL23124608 0.93 MEN1 (0.61) HRH3KMT2AMEN1RAB9ATGFBR1
SCHEMBL18984688 0.83 MAP4K4 (0.56) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL7695218 0.81 ACHE (0.69) KMT2AMEN1
SCHEMBL18129094 0.81 MAP4K4 (0.56) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL8809487 0.80 HRH3 (0.86) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL24093171 0.80 HRH3 (0.86) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL16249332 0.78 MEN1 (0.83) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL18984676 0.78 MAP4K4 (0.57) TGFBR1KDM4EALDH1A1PKM
SCHEMBL10953965 0.78 HRH3 (0.88) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL24574127 0.76 HRH3 (0.71) HRH3KMT2AMEN1RAB9APOLB

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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