Sugi Predict

Sugi Predict / Compounds / SCHEMBL9531827

SCHEMBL9531827

SCHEMBL9531827

COC(OC)C1=C(CCC(C)C)N(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)CN1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ IDE P14735 1/20 0.31
▸ AGTR1 P30556 1/20 0.30
▸ AGTR2 P50052 1/20 0.30

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
SCHEMBL9532007 0.88 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL9705501 0.88 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL9531797 0.87 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9533914 0.86 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9704900 0.85 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9705097 0.85 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9530926 0.85 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9534380 0.84 AGTR1 (0.30) AGTR1AGTR2
SCHEMBL9534146 0.84 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9533027 0.82 AGTR1 (0.34) AGTR1AGTR2

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
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 — — EP disclosed
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 — — WO disclosed