SCHEMBL8808822

SCHEMBL8808822

c1cc(-c2ccc(CNC3CCCCCC3)cc2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.64
▸ POLB P06746 1/20 0.49
▸ CXCR4 P61073 2/20 0.47
▸ PARP1 P09874 3/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CXCL12 P48061 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ PRKD1 Q15139 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL8809463 0.84 ALDH1A1 (0.51) HRH3POLBCXCR4PARP1ALDH1A1
SCHEMBL8809605 0.84 ALDH1A1 (0.51) HRH3POLBCXCR4PARP1ALDH1A1
SCHEMBL8809501 0.82 ALDH1A1 (0.52) HRH3POLBCXCR4PARP1ALDH1A1
SCHEMBL10953965 0.78 HRH3 (0.88) HRH3POLBCXCR4HDAC1MEN1
SCHEMBL8815392 0.76 HRH3 (0.62) HRH3POLBCXCR4PARP1HDAC1
SCHEMBL8808220 0.74 HRH3 (0.64) HRH3POLBCXCR4HDAC1MEN1
SCHEMBL8808736 0.74 HRH3 (0.59) HRH3POLBCXCR4PARP1HDAC1
SCHEMBL8810061 0.74 HRH3 (0.59) HRH3POLBCXCR4PARP1HDAC1
SCHEMBL24093171 0.73 HRH3 (0.86) HRH3POLBCXCR4HDAC1MEN1
SCHEMBL8809487 0.73 HRH3 (0.86) HRH3POLBCXCR4HDAC1MEN1

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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