SCHEMBL10760172

SCHEMBL10760172

Cc1[nH]c(=O)c(C#N)cc1-c1ccc(-n2ccnc2)s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 6/20 0.65
▸ PDE3B Q13370 5/20 0.65
▸ PDE2A O00408 2/20 0.65
▸ PDE1A P54750 2/20 0.65
▸ PDE1B Q01064 2/20 0.65
▸ PDE1C Q14123 2/20 0.65
▸ PDE4A P27815 4/20 0.52
▸ HPGD P15428 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ PDE4B Q07343 3/20 0.52
▸ PDE4C Q08493 3/20 0.52
▸ PDE4D Q08499 3/20 0.52
▸ CYP2C19 P33261 3/20 0.52
▸ BLM P54132 2/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ GAA P10253 2/20 0.45
▸ GALR3 O60755 1/20 0.45

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
Hydrochloric Acid SCHEMBL10762355 0.99 PDE3A (0.64) PDE3APDE3BPDE2APDE1APDE1B
SCHEMBL10365674 0.85 PDE3B (0.45) PDE3APDE3BPDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10367895 0.84 PDE3B (0.44) PDE3APDE3BPDE2APDE1APDE1B
SCHEMBL10364610 0.83 PDE3B (0.49) PDE3APDE3BPDE2APDE1APDE1B
SCHEMBL10365327 0.80 PDE2A (0.41) PDE3APDE3BPDE2APDE1APDE1B
SCHEMBL10758959 0.80 PDE3A (0.68) PDE3APDE3BPDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10760519 0.80 PDE3A (0.67) PDE3APDE3BPDE2APDE1APDE1B
SCHEMBL10763661 0.80 PDE3B (0.41) PDE3APDE3BPDE2APDE1APDE1B
SCHEMBL7411067 0.79 PDE3A (1.00) PDE3APDE3BPDE2APDE1APDE1B
SCHEMBL10365328 0.78 PDE2A (0.39) PDE3APDE3BPDE2APDE1APDE1B

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-4699914-A CONGESTIVE HEART FAILURE A. NATTERMANN & CIE GMBH (DE) 1987-10-13 — — US disclosed
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