SCHEMBL10503674

SCHEMBL10503674

Cc1cc(OCC(O)CNCCNC(=O)CCCCO[N+](=O)[O-])c2cc(C)[nH]c2c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCB11 O95342 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ ADRB2 P07550 9/20 0.38
▸ ADRB1 P08588 6/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10594457 0.90 ADRB2 (0.36) ADRB2ADRB1KMT2AKDM4EALDH1A1
SCHEMBL10595316 0.89 HTR1A (0.38) ABCB11HTR1AADRA2APTGS1SLC6A2
SCHEMBL10595607 0.88 ADRB1 (0.38) ADRB2ADRB1KMT2AMEN1KDM4E
SCHEMBL10504503 0.87 HTR1A (0.37) ABCB11HTR1AADRA2APTGS1SLC6A2
SCHEMBL10503386 0.85 ADRB1 (0.39) ADRB2ADRB1KMT2AMEN1KDM4E
SCHEMBL10504142 0.81 ADRB1 (0.39) ADRB2ADRB1KMT2AMEN1KDM4E
SCHEMBL10504639 0.80 HTR1A (0.52) ABCB11HTR1AADRA2APTGS1SLC6A2
SCHEMBL10504381 0.79 ADRB1 (0.42) HTR1AADRB2ADRB1KDM4EALDH1A1
SCHEMBL10593255 0.79 L3MBTL1 (0.40) SLC6A2ADRB2ADRB1KMT2AMEN1
SCHEMBL10505524 0.79 ADRB2 (0.38) ADRB2ADRB1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 — — EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 — — US disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 — — EP disclosed
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