SCHEMBL11085569

SCHEMBL11085569

CC1=C(c2cc(C)nc(C)c2)CC(C)C(=O)N1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE2A O00408 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL11089316 0.83 DDB1 (0.32) DDB1CRBNBRD4CREBBP
SCHEMBL11128659 0.82 BRD4 (0.44) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11080028 0.77 PDE3B (0.44) DDB1CRBNPDE3BPDE3APDE2A
SCHEMBL11084555 0.74 PDE2A (0.39) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL11088815 0.73 CYP11B1 (0.42) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL9722411 0.72 GAA (0.41) DDB1CRBNPDE3BPDE3APDE2A
SCHEMBL11086423 0.71 GAA (0.43) DDB1CRBNBRD4CREBBP
SCHEMBL10761383 0.67 PDE3B (0.73) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10761022 0.67 PDE3B (0.48) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10757069 0.67 PDE3B (0.72) PDE3BPDE3APDE2APDE1APDE1B

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
EP-0109628-A1 2(1H)-pyridinones and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1984-05-30 EP disclosed
US-4431651-A 2-Pyridinones and their use as cardiotonic agents STERLING DRUG INC. (US) 1984-02-14 US disclosed