SCHEMBL10592973

SCHEMBL10592973

COc1ccccc1OCC(O)CNC(C)(C)CNC(=O)CCCCO[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 3/20 0.49
▸ ADRB2 P07550 10/20 0.47
▸ ADRB1 P08588 7/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ GRK3 P35626 1/20 0.40

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
SCHEMBL10592061 0.97 CASR (0.50) CASRADRB2ADRB1MEN1KMT2A
SCHEMBL10593339 0.90 ADRB2 (0.47) CASRADRB2ADRB1LMNACYP1A2
SCHEMBL10592451 0.90 ADRB2 (0.41) CASRADRB2ADRB1MEN1KMT2A
SCHEMBL10503940 0.89 ADRB2 (0.41) CASRADRB2ADRB1MEN1KMT2A
SCHEMBL10503702 0.89 CYP2D6 (0.49) CASRADRB2ADRB1LMNACYP1A2
SCHEMBL10594588 0.88 CYP2D6 (0.45) CASRADRB2ADRB1MEN1KMT2A
SCHEMBL10504063 0.88 HTR1A (0.55) CASRADRB2ADRB1MEN1KMT2A
SCHEMBL10503951 0.88 GRK3 (0.40) CASRADRB2ADRB1MEN1KMT2A
SCHEMBL10594410 0.88 ADRB2 (0.42) CASRADRB2ADRB1MEN1KMT2A
SCHEMBL10503207 0.87 ADRB2 (0.39) CASRADRB2ADRB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 — — US disclosed
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