SCHEMBL10554632

SCHEMBL10554632

Cc1[nH]c2ccc(C3=NNC(=O)CC3C)cc2c1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 16/20 0.57
▸ PDE3A Q14432 16/20 0.57
▸ PDE4A P27815 2/20 0.55
▸ PDE4B Q07343 2/20 0.55
▸ PDE4C Q08493 2/20 0.55
▸ PDE4D Q08499 2/20 0.55
▸ GALR3 O60755 2/20 0.50
▸ ABCB11 O95342 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ ADORA2A P29274 1/20 0.50
▸ F10 P00742 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ GPR119 Q8TDV5 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL10551592 0.84 PDE3B (0.52) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9668975 0.84 PDE3B (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10552483 0.81 PDE3B (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10553008 0.80 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10858632 0.80 PDE4A (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9668103 0.78 GPR119 (0.55) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353457 0.78 PDE3B (0.71) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10617018 0.78 F10 (0.58) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9516140 0.78 PDE3B (0.57) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL16157195 0.77 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C

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-4851406-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE BOEHRINGER MANNHEIM GMBH (DE) 1989-07-25 — — US disclosed
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