SCHEMBL8808913

SCHEMBL8808913

c1ccc(C(c2ccccc2)(c2ccccc2)c2n[nH]cc2-c2ccc(CNC3CCCCCC3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.50
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ OPRM1 P35372 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ CD274 Q9NZQ7 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ FABP6 P51161 1/20 0.37
▸ GRIN2B Q13224 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
SCHEMBL8808736 0.77 HRH3 (0.59) HRH3KMT2AMEN1RAB9AOPRM1
SCHEMBL8809487 0.73 HRH3 (0.86) HRH3KMT2AMEN1RAB9AOPRM1
SCHEMBL24093171 0.73 HRH3 (0.86) HRH3KMT2AMEN1RAB9AOPRM1
SCHEMBL8809141 0.73 PARP1 (0.43) HRH3KMT2AMEN1RAB9ACD274
SCHEMBL16249332 0.72 MEN1 (0.83) HRH3KMT2AMEN1RAB9AOPRM1
SCHEMBL8809433 0.71 NR1H2 (0.36) KMT2AMEN1RAB9APOLBLMNA
SCHEMBL8808822 0.71 HRH3 (0.64) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL8810061 0.70 HRH3 (0.59) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL10789534 0.70 HRH3 (0.71) HRH3KMT2AMEN1RAB9APOLB
SCHEMBL294763 0.70 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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