SCHEMBL7312957

SCHEMBL7312957

Cc1cccc(C2(O)c3ccccc3C=Cc3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.41
HDAC4 P56524 1/20 0.39
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 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CHRND Q07001 1/20 0.37
ACHE P22303 3/20 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
SCHEMBL7312094 0.82 LMNA (0.53) LMNANPSR1HDAC4OPRM1OPRD1
SCHEMBL7315720 0.82 KIF11 (0.46) LMNAKDM4EPKMOPRM1OPRD1
SCHEMBL7322102 0.79 P2RX1 (0.46) LMNAKDM4EPKMPDK2KIF11
SCHEMBL7320476 0.78 LMNA (0.42) LMNANPSR1KDM4EHDAC4OPRM1
SCHEMBL7322189 0.78 LMNA (0.45) LMNANPSR1KDM4EHDAC4OPRM1
SCHEMBL28612399 0.77 PDK2 (0.45) LMNANPSR1HDAC4OPRM1OPRD1
SCHEMBL5135584 0.72 LMNA (0.38) LMNANPSR1KDM4EPKMHDAC4
SCHEMBL9644144 0.70 PDK2 (0.42) LMNANPSR1KDM4EPKMPDK2
SCHEMBL18723336 0.70 ALDH1A1 (0.46) LMNANPSR1HDAC4OPRM1OPRD1
SCHEMBL11629890 0.69 ALDH1A1 (0.38) LMNAKDM4EPKMOPRM1OPRD1

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