SCHEMBL9590611

SCHEMBL9590611

CCCCCc1ncc(C(=O)OCC)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 17/20 0.76
▸ AGTR2 P50052 17/20 0.76
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PPP1CA P62136 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43

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
SCHEMBL9592385 0.98 AGTR1 (0.76) AGTR1AGTR2MEN1ALDH1A1LMNA
SCHEMBL9592779 0.94 AGTR1 (0.75) AGTR1AGTR2MEN1ALDH1A1LMNA
SCHEMBL9590776 0.91 AGTR1 (0.75) AGTR1AGTR2MEN1ALDH1A1LMNA
SCHEMBL9592532 0.91 AGTR1 (0.76) AGTR1AGTR2MEN1ALDH1A1LMNA
SCHEMBL9654399 0.91 AGTR1 (0.67) AGTR1AGTR2MEN1ALDH1A1LMNA
SCHEMBL9653050 0.90 AGTR1 (0.65) AGTR1AGTR2MEN1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL9591473 0.90 AGTR1 (0.75) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9655098 0.89 AGTR1 (0.64) AGTR1AGTR2MEN1ALDH1A1LMNA
SCHEMBL9655007 0.89 AGTR1 (0.64) AGTR1AGTR2MEN1ALDH1A1LMNA
SCHEMBL9592999 0.88 AGTR1 (0.74) AGTR1AGTR2MEN1ALDH1A1LMNA

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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