SCHEMBL18413370

SCHEMBL18413370

COc1ccc(C(OC[C@@H]2CCCN2C(=O)CCCCCI)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 7/20 0.48
SLC6A1 P30531 3/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A12 P48065 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC6A13 Q9NSD5 1/20 0.43
DPP4 P27487 1/20 0.42
FFAR1 O14842 1/20 0.39
CYP2J2 P51589 1/20 0.38
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL16392603 0.91 SLC6A11 (0.48) SLC6A11SLC6A1NPC1RAB9AHPGD
SCHEMBL16357997 0.89 SLC6A11 (0.47) SLC6A11SLC6A1NPC1RAB9AHPGD
SCHEMBL16392604 0.85 DPP4 (0.45) SLC6A11SLC6A1NPC1RAB9AHPGD
SCHEMBL16392607 0.83 PREP (0.49) SLC6A11SLC6A1NPC1RAB9AMEN1
SCHEMBL10118446 0.83 SLC6A11 (0.55) SLC6A11SLC6A1MEN1KMT2ASLC6A12
SCHEMBL18857570 0.83 SLC6A11 (0.48) SLC6A11SLC6A1NPC1RAB9AHPGD
SCHEMBL31606441 0.81 SLC6A11 (0.43) SLC6A11SLC6A1NPC1RAB9AHPGD
SCHEMBL764125 0.81 SLC6A11 (0.52) SLC6A11SLC6A1MEN1KMT2ASLC6A12
SCHEMBL14615793 0.80 DRD2 (0.48) SLC6A11SLC6A1DPP4
SCHEMBL28349162 0.80 SLC6A11 (0.44) SLC6A11SLC6A1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017015109-A1 MULTI-TARGETED SINGLE ENTITY CONJUGATES ALNYLAM PHARMACEUTICALS, INC. (US) 2017-01-26 WO disclosed