SCHEMBL8201867

SCHEMBL8201867

COc1ccccc1C=CC(=O)Nc1ccc2c(c1)C1CCCN1CC2

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.63
LMNA P02545 5/20 0.63
NPC1 O15118 4/20 0.63
KDM4E B2RXH2 4/20 0.63
RAB9A P51151 3/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
RECQL P46063 1/20 0.63
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.50
CHRNA7 P36544 2/20 0.47
IMPDH2 P12268 2/20 0.46

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 SCHEMBL8215501 0.99 MAPT (0.62) MAPTLMNANPC1KDM4ERAB9A
SCHEMBL8201498 0.88 MAPT (0.48) MAPTLMNANPC1KDM4ERAB9A
Hydrochloric Acid SCHEMBL8221068 0.87 MAPT (0.47) MAPTLMNANPC1KDM4ERAB9A
SCHEMBL8221080 0.87 MAPT (0.54) MAPTLMNANPC1KDM4ERAB9A
SCHEMBL8218244 0.86 MAPT (0.45) MAPTLMNANPC1KDM4ERAB9A
Hydrochloric Acid SCHEMBL8218987 0.86 MAPT (0.53) MAPTLMNANPC1KDM4ERAB9A
SCHEMBL8221093 0.85 MAPT (0.44) MAPTLMNANPC1KDM4ERAB9A
Hydrochloric Acid SCHEMBL8222018 0.85 MAPT (0.44) MAPTLMNANPC1KDM4ERAB9A
Hydrochloric Acid SCHEMBL8220303 0.85 MAPT (0.43) MAPTLMNANPC1KDM4ERAB9A
SCHEMBL8209221 0.84 MAOB (0.52) MAPTLMNANPC1KDM4ERAB9A

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