SCHEMBL8809487

SCHEMBL8809487

c1ccc(-c2ccc(CNC3CCCCCC3)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.86
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
RAB9A P51151 1/20 0.80
CXCR4 P61073 2/20 0.59
POLB P06746 1/20 0.59
HDAC1 Q13547 3/20 0.57
ALDH1A1 P00352 1/20 0.55
GRIN2B Q13224 1/20 0.54
KDM1A O60341 1/20 0.53
EPHX1 P07099 1/20 0.52
CXCL12 P48061 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
LMNA P02545 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
HTR5A P47898 1/20 0.50

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
SCHEMBL24093171 1.00 HRH3 (0.86) HRH3MEN1KMT2ARAB9ACXCR4
SCHEMBL16249332 0.98 MEN1 (0.83) HRH3MEN1KMT2ARAB9ACXCR4
SCHEMBL1547169 0.91 MEN1 (0.96) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL294763 0.89 HRH3 (0.71) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL10789534 0.89 HRH3 (0.71) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL24574127 0.89 HRH3 (0.71) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL1847296 0.89 HRH3 (0.71) HRH3MEN1KMT2ARAB9APOLB
Hydrochloric Acid SCHEMBL11781778 0.87 HRH3 (0.69) HRH3MEN1KMT2ARAB9APOLB
Hydrochloric Acid SCHEMBL11782513 0.87 HRH3 (0.69) HRH3MEN1KMT2ARAB9APOLB
SCHEMBL433970 0.87 GRIN2B (0.69) HRH3MEN1KMT2ARAB9APOLB

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