SCHEMBL8196502

SCHEMBL8196502

O=C(O)c1oc2ccc(CN3CCOCC3)cc2c1-c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 2/20 0.43
PDE2A O00408 1/20 0.42
PDE6D O43924 1/20 0.42
PDE6A P16499 1/20 0.42

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
SCHEMBL8197603 0.92 ACHE (0.43) SMN1; SMN2ALDH1A1HIF1APOLBKMT2A
SCHEMBL8197642 0.80 THRB (0.44) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL8189028 0.78 HTR1A (0.42) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL8199557 0.76 MCL1 (0.57) SMN1; SMN2ALDH1A1KDM4EHPGDKMT2A
SCHEMBL8200186 0.76 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL8200379 0.74 MAPT (0.42) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL8200416 0.74 PIM1 (0.49) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL9220776 0.73 KMT2A (0.46) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL8189205 0.71 KDM4E (0.52) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL28246592 0.71 HTT (0.55) NPC1RAB9ASMN1; SMN2HTTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36832-E AN ANTICHOLESTEROL AGENT TREATING HYPERCHOLESTEROLEMIA NIHON NOHYAKU CO., LTD (JP) 2000-08-22 US disclosed
EP-0613894-B1 N-Heteroaryl-N'-phenylurea derivatives, their production and use NIHON NOHYAKU CO LTD (JP) 1999-05-06 EP disclosed
US-5464863-A Anticholesterol agents NIHON NOHYAKU CO., LTD. (JP) 1995-11-07 US disclosed
EP-0613894-A1 N-Heteroaryl-N'-phenylurea derivatives, their production and use NIHON NOHYAKU CO., LTD. (JP) 1994-09-07 EP disclosed