SCHEMBL7320476

SCHEMBL7320476

Cc1cccc(C2(O)c3ccccc3Sc3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
BCHE P06276 2/20 0.40
HDAC4 P56524 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36
ACHE P22303 2/20 0.35
PDK2 Q15119 3/20 0.35

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
SCHEMBL7312094 0.81 LMNA (0.53) LMNANPSR1HDAC4OPRM1OPRD1
SCHEMBL7310248 0.81 BCHE (0.39) LMNANPSR1BCHEOPRM1OPRD1
SCHEMBL7322303 0.80 P2RX1 (0.44) LMNANPSR1BCHESLC6A2SLC6A3
SCHEMBL7312957 0.78 LMNA (0.43) LMNANPSR1HDAC4OPRM1OPRD1
SCHEMBL7322189 0.77 LMNA (0.45) LMNANPSR1HDAC4OPRM1OPRD1
SCHEMBL13940107 0.76 TDP1 (0.36) BCHEPDK2MAPTMEN1HPGD
SCHEMBL28612399 0.76 PDK2 (0.45) LMNANPSR1HDAC4OPRM1OPRD1
SCHEMBL22169961 0.75 POLB (0.31) POLBCASP6
SCHEMBL888093 0.75 NPC1 (0.40) NPSR1BCHESLC6A2SLC6A3MAPT
SCHEMBL21880254 0.73 BCHE (0.35) LMNANPSR1BCHESLC6A2SLC6A3

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
US-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed
WO-1999041227-A1 TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS ALLELIX NEUROSCIENCE, INC. (US) 1999-08-19 WO disclosed