SCHEMBL9592999

SCHEMBL9592999

CCOC(=O)c1cnc(C)nc1NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 15/20 0.74
▸ AGTR2 P50052 15/20 0.74
▸ MAPT P10636 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ 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
▸ 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
▸ HSD17B10 Q99714 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL9590776 0.91 AGTR1 (0.75) AGTR1AGTR2MAPTNPSR1SMN1; SMN2
SCHEMBL9592779 0.90 AGTR1 (0.75) AGTR1AGTR2MAPTNPSR1SMN1; SMN2
SCHEMBL9592385 0.88 AGTR1 (0.76) AGTR1AGTR2MAPTNPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL9589530 0.88 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9654399 0.88 AGTR1 (0.67) AGTR1AGTR2MAPTNPSR1SMN1; SMN2
SCHEMBL9590611 0.88 AGTR1 (0.76) AGTR1AGTR2MAPTNPSR1SMN1; SMN2
SCHEMBL9653137 0.88 AGTR1 (0.58) AGTR1AGTR2MAPTNPSR1SMN1; SMN2
SCHEMBL9592532 0.88 AGTR1 (0.76) AGTR1AGTR2MAPTNPSR1SMN1; SMN2
SCHEMBL9592562 0.88 AGTR1 (0.74) AGTR1AGTR2MAPTNPSR1SMN1; SMN2
SCHEMBL9653050 0.87 AGTR1 (0.65) AGTR1AGTR2MAPTNPSR1SMN1; SMN2

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
US-5250548-A Treating hypertension, heart failure ABBOTT LABORATORIES (US) 1993-10-05 — — US disclosed
EP-0475206-A2 Angiotensin II receptor antagonists ABBOTT LABORATORIES (US) 1992-03-18 — — EP disclosed
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