SCHEMBL11088397

SCHEMBL11088397

CC1C(=O)N(C)c2ccc(C3=NN(C)C(=O)C4CC34)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
PDE4D Q08499 4/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
BRD4 O60885 4/20 0.38
CES2 O00748 1/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
DNMT3A Q9Y6K1 1/20 0.34
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 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
SCHEMBL11093424 0.89 HRH3 (0.43) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11086367 0.81 GPR119 (0.45) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11092766 0.81 MAPT (0.49) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11084831 0.79 PDE4A (0.51) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11083063 0.79 HRH3 (0.43) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11091160 0.78 TRIM24 (0.48) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11088961 0.77 PDE4A (0.55) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11087147 0.77 PDE3B (0.54) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11086020 0.76 PDE3B (0.43) HRH3PDE4DPDE4APDE4BPDE4C
SCHEMBL11082375 0.76 PDE3B (0.47) HRH3PDE4DPDE4APDE4BPDE4C

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-4474785-A HYPOTENSIVE AGENTS, ANTICOAGULANTS BASF AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed