SCHEMBL8218244

SCHEMBL8218244

CC(=O)c1ccccc1C=CC(=O)Nc1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 1/20 0.45
NFKB1 P19838 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
CHRNA7 P36544 3/20 0.42
RORC P51449 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GSPT1 P15170 1/20 0.38
CRBN Q96SW2 1/20 0.38

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
Hydrochloric Acid SCHEMBL8222018 0.99 MAPT (0.44) MAPTLMNASMN1; SMN2KDM4ENPC1
SCHEMBL8201498 0.89 MAPT (0.48) MAPTLMNASMN1; SMN2KDM4ENPC1
SCHEMBL8221093 0.88 MAPT (0.44) MAPTLMNASMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL8221068 0.88 MAPT (0.47) MAPTLMNASMN1; SMN2KDM4ENPC1
SCHEMBL8221080 0.88 MAPT (0.54) MAPTLMNASMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL8220303 0.87 MAPT (0.43) MAPTLMNASMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL8218987 0.87 MAPT (0.53) MAPTLMNASMN1; SMN2KDM4ENPC1
SCHEMBL8201867 0.86 MAPT (0.63) MAPTLMNASMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL8215501 0.85 MAPT (0.62) MAPTLMNASMN1; SMN2KDM4ENPC1
SCHEMBL8201457 0.84 DRD2 (0.45) MAPTLMNASMN1; SMN2KDM4ENPC1

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
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO claimed
WO-2000008023-A1 CONDENSED TRICYCLIC PIPERIDINES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-02-17 WO disclosed