SCHEMBL6180649

SCHEMBL6180649

O=C(O)N1CCC(Sc2ccc3ccccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
DRD4 P21917 3/20 0.41
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
EPHX1 P07099 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL7015580 0.86 MAPT (0.38) RAB9ALMNAMAPTL3MBTL1MCHR1
SCHEMBL3125608 0.84 CARM1 (0.49) RAB9ANPC1DRD4EPHX1GAA
SCHEMBL4778134 0.81 GPR119 (0.52) RAB9ANPC1KDM4EMAPTL3MBTL1
SCHEMBL4771588 0.78 KMT2A (0.41) MAPTTDP1KMT2A
SCHEMBL21623786 0.78 KMT2A (0.58) RAB9ANPC1MAPTKMT2A
SCHEMBL1866719 0.77 KMT2A (0.41) RAB9AEPHX1TSHRSIGMAR1L3MBTL1
SCHEMBL4097076 0.77 CCR5 (0.42) RAB9ANPC1KDM4EATML3MBTL1
SCHEMBL5273038 0.77 MAPT (0.45) RAB9ANPC1LMNAMAPTL3MBTL1
SCHEMBL16013886 0.77 KMT2A (0.41) RAB9ANPC1GAAMAPTL3MBTL1
SCHEMBL4777118 0.77 GAA (0.49) RAB9ALMNAGAA

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-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
CN-1164232-A Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LTD (GB) 1997-11-05 CN disclosed