SCHEMBL7688296

SCHEMBL7688296

OCCCCCCSCCCCCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
HDAC1 Q13547 2/20 0.41
LSS P48449 1/20 0.40
PDE2A O00408 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCEH1 Q6PIU2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PLA2G4B P0C869 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDK2 Q15119 2/20 0.37
MAPT P10636 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
SCHEMBL7690075 0.97 NPC1 (0.43) NPC1RAB9ASLC6A2SLC6A4HDAC1
SCHEMBL30754663 0.91 HDAC1 (0.47) SLC6A2SLC6A4HDAC1LSSPDE2A
SCHEMBL9805741 0.91 HDAC1 (0.47) SLC6A2SLC6A4HDAC1LSSPDE2A
SCHEMBL30457219 0.91 HDAC1 (0.47) SLC6A2SLC6A4HDAC1LSSPDE2A
SCHEMBL24961871 0.91 HDAC1 (0.47) SLC6A2SLC6A4HDAC1LSSPDE2A
SCHEMBL24962598 0.91 HDAC1 (0.47) SLC6A2SLC6A4HDAC1LSSPDE2A
SCHEMBL30754667 0.91 HDAC1 (0.47) SLC6A2SLC6A4HDAC1LSSPDE2A
SCHEMBL4594840 0.91 HDAC1 (0.47) SLC6A2SLC6A4HDAC1LSSPDE2A
SCHEMBL6027823 0.85 SLC6A2 (0.48) NPC1RAB9ASLC6A2SLC6A4HDAC1
SCHEMBL30457019 0.85 SLC6A2 (0.48) NPC1RAB9ASLC6A2SLC6A4HDAC1

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-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed