SCHEMBL9837037

SCHEMBL9837037

Nc1ccn(CC2CC2CO)c(=O)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.48
LMNA P02545 3/20 0.47
PDE3A Q14432 3/20 0.47
CACNA1F O60840 2/20 0.47
ALB P02768 2/20 0.47
MAPT P10636 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNA1S Q13698 2/20 0.47
CACNA1C Q13936 2/20 0.47
THRB P10828 1/20 0.46
MTOR P42345 1/20 0.46
MDM2 Q00987 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PDE4D Q08499 1/20 0.43
SLC29A1 Q99808 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.42
POLB P06746 1/20 0.35
EP300 Q09472 3/20 0.34
NT5E P21589 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
SCHEMBL10834771 0.87 LMNA (0.44) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL9310528 0.80 LMNA (0.54) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL9311419 0.78 LMNA (0.54) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL236000 0.77 FGFR1 (0.51) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL8925507 0.77 FGFR1 (0.55) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL10569326 0.76 PPM1B (0.44) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL10571048 0.76 LMNA (0.56) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL11720724 0.76 FGFR1 (0.50) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL9471195 0.75 LMNA (0.50) FGFR1LMNAPDE3ACACNA1FALB
SCHEMBL9471029 0.75 LMNA (0.55) LMNAPDE3ACACNA1FALBMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159264-B1 ANTIVIRAL COMPOUNDS MERCK & CO. INC. (US) 1991-07-24 EP disclosed
US-4859680-A Pyrimidine derivatives as antiviral compounds MERCK & CO., INC. (US) 1989-08-22 US disclosed
US-4617304-A VIRICIDE; HERPES MERCK & CO., INC. (US) 1986-10-14 US disclosed
EP-0159264-A2 Antiviral compounds MERCK & CO. INC. (US) 1985-10-23 EP disclosed