SCHEMBL8201457

SCHEMBL8201457

N#Cc1ccccc1C=CC(=O)Nc1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
RORC P51449 9/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CHRNA7 P36544 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
ROCK2 O75116 2/20 0.39
F2R P25116 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 SCHEMBL8220610 0.99 DRD2 (0.46) DRD2DRD3RORCMAPTSMN1; SMN2
SCHEMBL8221080 0.87 MAPT (0.54) MAPTSMN1; SMN2KDM4ENPC1LMNA
Hydrochloric Acid SCHEMBL8218987 0.86 MAPT (0.53) MAPTSMN1; SMN2KDM4ENPC1LMNA
SCHEMBL8201498 0.86 MAPT (0.48) MAPTSMN1; SMN2KDM4ENPC1LMNA
Hydrochloric Acid SCHEMBL8221068 0.85 MAPT (0.47) MAPTSMN1; SMN2KDM4ENPC1LMNA
SCHEMBL8218244 0.84 MAPT (0.45) RORCMAPTSMN1; SMN2KDM4ENPC1
Hydrochloric Acid SCHEMBL8222018 0.84 MAPT (0.44) RORCMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL8221093 0.84 MAPT (0.44) DRD2DRD3MAPTSMN1; SMN2KDM4E
SCHEMBL8209221 0.84 MAOB (0.52) MAPTSMN1; SMN2KDM4ENPC1LMNA
SCHEMBL8201867 0.84 MAPT (0.63) MAPTSMN1; SMN2KDM4ENPC1LMNA

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