SCHEMBL9589928

SCHEMBL9589928

CCCCc1ncc(C#N)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 15/20 0.55
▸ AGTR2 P50052 15/20 0.55
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ PDE3B Q13370 1/20 0.48
▸ PDE3A Q14432 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL9025416 0.91 AGTR1 (0.47) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9598462 0.89 AGTR1 (0.60) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9591968 0.87 AGTR1 (0.56) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9590473 0.85 AGTR1 (0.62) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9589857 0.85 AGTR1 (0.62) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9590913 0.84 AGTR1 (0.61) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9589902 0.83 AGTR1 (0.63) AGTR1AGTR2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL9591558 0.83 AGTR1 (0.75) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9653124 0.82 AGTR1 (0.62) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9655032 0.82 AGTR1 (0.61) AGTR1AGTR2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 — — US disclosed
WO-1992014468-A1 PSORIASIS TREATMENT ABBOTT LABORATORIES (US) 1992-09-03 — — WO disclosed
US-5104877-A Psoriasis treatment ABBOTT LABORATORIES (US) 1992-04-14 — — US disclosed
EP-0475206-A2 Angiotensin II receptor antagonists ABBOTT LABORATORIES (US) 1992-03-18 — — EP disclosed
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