SCHEMBL9655032

SCHEMBL9655032

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 17/20 0.61
▸ AGTR2 P50052 17/20 0.61
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46

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 SCHEMBL9591558 0.90 AGTR1 (0.75) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9589902 0.90 AGTR1 (0.63) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9653124 0.89 AGTR1 (0.62) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9592385 0.88 AGTR1 (0.76) AGTR1AGTR2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL9591473 0.88 AGTR1 (0.75) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9654052 0.87 AGTR1 (0.60) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9598462 0.86 AGTR1 (0.60) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9592270 0.86 AGTR1 (0.58) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9590611 0.86 AGTR1 (0.76) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9654363 0.85 AGTR1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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