SCHEMBL8845702

SCHEMBL8845702

[c]1ccc2c(c1)ccn2CCCCc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.41
CCND1 P24385 3/20 0.41
HRH1 P35367 2/20 0.37
P2RX7 Q99572 2/20 0.35
SIGMAR1 Q99720 4/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
HMOX1 P09601 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
CYP24A1 Q07973 1/20 0.33

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
SCHEMBL693231 0.81 HTR6 (0.46) PLGPLAU
SCHEMBL8845775 0.76 PLG (0.45) CDK4CCND1HRH1PLGPLAU
SCHEMBL16720003 0.76 CDK4 (0.44) CDK4CCND1
SCHEMBL16719844 0.75 CDK4 (0.44) CDK4CCND1PLGPLAU
SCHEMBL5814894 0.75 CDK4 (0.44) CDK4CCND1PLGPLAU
SCHEMBL9502777 0.74 SLC6A2 (0.48) HRH1SIGMAR1CYP24A1
SCHEMBL6754186 0.71 HTR2A (0.50) CDK4CCND1
SCHEMBL5778093 0.71 GLO1 (0.41) CDK4CCND1PLGPLAU
SCHEMBL694594 0.71 CDK4 (0.41) CDK4CCND1
SCHEMBL1450476 0.71 CDK4 (0.41) CDK4CCND1PLGPLAU

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