SCHEMBL8809145

SCHEMBL8809145

Clc1ccc(-c2ccc(CNC3CCCCCC3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.83
HRH3 Q9Y5N1 2/20 0.83
CXCR4 P61073 2/20 0.58
RAB9A P51151 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.55
ALOX12 P18054 1/20 0.55
EPHX1 P07099 1/20 0.55
ACHE P22303 3/20 0.55
BCHE P06276 2/20 0.54
BACE1 P56817 2/20 0.54
HDAC1 Q13547 1/20 0.53
CXCL12 P48061 1/20 0.50
HTT P42858 2/20 0.49
GLA P06280 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.48
OPRL1 P41146 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL11615671 0.95 POLB (0.93) POLBHRH3CXCR4RAB9AMEN1
SCHEMBL5863714 0.95 POLB (0.93) POLBHRH3CXCR4RAB9AMEN1
SCHEMBL11112228 0.93 POLB (0.96) POLBHRH3CXCR4RAB9AMEN1
SCHEMBL31083251 0.89 POLB (0.89) POLBHRH3CXCR4RAB9AMEN1
SCHEMBL8808145 0.85 POLB (0.76) POLBHRH3CXCR4RAB9AMEN1
SCHEMBL3236686 0.85 POLB (0.81) POLBHRH3RAB9AMEN1KMT2A
SCHEMBL10953965 0.85 HRH3 (0.88) POLBHRH3CXCR4RAB9AMEN1
SCHEMBL24093171 0.84 HRH3 (0.86) POLBHRH3CXCR4RAB9AMEN1
SCHEMBL8809487 0.84 HRH3 (0.86) POLBHRH3CXCR4RAB9AMEN1
SCHEMBL9057590 0.83 HRH3 (0.83) POLBHRH3CXCR4RAB9AMEN1

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