SCHEMBL7314154

SCHEMBL7314154

CCCCCC(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.55
PDE3A Q14432 16/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 3/20 0.49
GALR3 O60755 2/20 0.49
THRB P10828 1/20 0.49
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
TNNC1 P63316 1/20 0.44
SLFN12 Q8IYM2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7320798 0.99 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7310488 0.99 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7312315 0.85 MAPT (0.64) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7322126 0.85 MAPT (0.64) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9878030 0.84 HDAC1 (0.52) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16157001 0.83 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10741604 0.83 PDE3B (0.77) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10736876 0.82 MAPT (0.55) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7315143 0.81 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL11290870 0.81 SMN1; SMN2 (0.64) PDE3BPDE3ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4699909-A CARDIOTONICS, HYPOTENSIVES AND ANTITHROMBOTICS DR. KARL THOMAE GMBH (DE) 1987-10-13 US disclosed
US-4616018-A CARDIOTOINC AGENTS, HYPOTENSIVES, AND ANTICOAGULANTS KARL THOMAE GMBH (DE) 1986-10-07 US disclosed
EP-0071102-B1 BENZOTRIAZOLES, THEIR PREPARATION AND USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1985-10-23 EP disclosed
EP-0071102-A1 Benzotriazoles, their preparation and use as medicines Dr. Karl Thomae GmbH (DE) 1983-02-09 EP disclosed
US-4361563-A CARDIOTONIC, ANTITHROMBOTIC DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-11-30 US disclosed
EP-0008391-A1 Benzimidazoles, their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1980-03-05 EP disclosed