SCHEMBL8845698

SCHEMBL8845698

CCCC(c1ccncc1)n1ccc2c[c]ccc21

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.68
SLC6A4 P31645 3/20 0.38
CYP17A1 P05093 1/20 0.34
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9195174 0.81 SLC6A2 (1.00) SLC6A2SLC6A4CYP17A1
SCHEMBL9201233 0.78 SLC6A2 (0.70) SLC6A2SLC6A4CYP17A1
SCHEMBL8845768 0.77 SLC6A2 (0.68) SLC6A2SLC6A4CYP17A1ALDH1A1MAPT
SCHEMBL9197969 0.75 SLC6A2 (0.65) SLC6A2SLC6A4CYP17A1MAPT
SCHEMBL9192640 0.69 SLC6A2 (0.57) SLC6A2MAPT
SCHEMBL9194455 0.69 SLC6A2 (0.63) SLC6A2SLC6A4
SCHEMBL2596677 0.69
SCHEMBL9155328 0.69 SLC6A2 (0.56) SLC6A2
SCHEMBL8845539 0.69 SLC6A2 (0.56) SLC6A2SLC6A4ALDH1A1
SCHEMBL9198615 0.67 SLC6A2 (0.59) SLC6A2SLC6A4CYP17A1ALDH1A1MAPT

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
US-5688816-A COGNITION ACTIVATOR; ALZHEIMER'S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-11-18 US disclosed