SCHEMBL7341034

SCHEMBL7341034

CC1=C(c2ccc(-n3ccnc3)cc2)CC(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 14/20 0.62
▸ PDE3A Q14432 14/20 0.62
▸ PDE2A O00408 4/20 0.62
▸ PDE1A P54750 2/20 0.62
▸ PDE1B Q01064 2/20 0.62
▸ PDE1C Q14123 2/20 0.62
▸ PDE4A P27815 2/20 0.52
▸ PDE4B Q07343 2/20 0.52
▸ PDE4C Q08493 2/20 0.52
▸ PDE4D Q08499 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MEN1 O00255 1/20 0.48
▸ ALOX15 P16050 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
SCHEMBL7450630 0.88 PDE3B (0.61) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10756530 0.87 PDE3B (0.60) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7340691 0.83 PDE3B (0.51) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7350884 0.80 PDE3B (0.45) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10761383 0.80 PDE3B (0.73) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10757069 0.79 PDE3B (0.72) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10765501 0.77 PDE3B (0.62) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7344047 0.77 PDE3B (0.54) PDE3BPDE3APDE2APDE1APDE1B
Hydrochloric Acid SCHEMBL10762593 0.76 PDE3B (0.61) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7347151 0.76 PDE3B (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329691-B1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1991-11-21 — — EP claimed
EP-0329691-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES. SCHERING AG (DE) 1989-08-30 — — EP claimed
WO-1988003531-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-19 — — WO claimed
US-4737511-A Cardiotonic imidazolylphenylpyrrol-2-ones SCHERING A.G. (DE) 1988-04-12 — — US claimed
EP-0329691-B1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1991-11-21 — — EP disclosed
EP-0329691-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES. SCHERING AG (DE) 1989-08-30 — — EP disclosed
WO-1988003531-A1 CARDIOTONIC IMIDAZOLYLPHENYLPYRROL-2-ONES SCHERING AKTIENGESELLSCHAFT (DE) 1988-05-19 — — WO disclosed
US-4737511-A Cardiotonic imidazolylphenylpyrrol-2-ones SCHERING A.G. (DE) 1988-04-12 — — US disclosed
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