SCHEMBL9808650

SCHEMBL9808650

Cc1ccccc1OCC(O)CNCCN

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.63
ADRB1 P08588 1/20 0.63
ADRB3 P13945 1/20 0.63
ALOX15 P16050 1/20 0.62
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
KDM4E B2RXH2 3/20 0.59
CYP1A2 P05177 1/20 0.59
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HTR1A P08908 1/20 0.50

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
SCHEMBL10740739 0.87 ADRB2 (0.65) ADRB2ADRB1ADRB3ALOX15KMT2A
SCHEMBL11009391 0.86 ALOX15 (0.67) ADRB2ADRB1ADRB3ALOX15KMT2A
SCHEMBL10743566 0.86 KDM4E (0.61) ADRB2ADRB1ADRB3KMT2AKDM4E
SCHEMBL20594203 0.84 ADRB2 (0.59) ADRB2ADRB1ADRB3ALOX15KMT2A
SCHEMBL8055366 0.84 DRD2 (0.67) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL8054995 0.84 ADRB2 (0.58) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL10967079 0.83 KMT2A (0.55) ADRB2ADRB1ADRB3ALOX15KMT2A
SCHEMBL10744074 0.83 KMT2A (0.54) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL16991814 0.83 ADRB2 (0.68) ADRB2ADRB1ADRB3ALOX15KMT2A
SCHEMBL11360960 0.81 KDM4E (0.58) ADRB2ADRB1ADRB3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4994476-A Hypotensive agents BRISTOL-MYERS COMPANY (US) 1991-02-19 US disclosed
EP-0201558-A4 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES. BRISTOL MYERS CO (US) 1988-04-13 EP disclosed
US-4711887-A HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-08 US disclosed
EP-0201558-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES Bristol-Myers Squibb Company (US) 1986-11-20 EP disclosed
WO-1986002640-A1 DIHYDROPYRIDIN-3,5-DICARBOXYLATES INCORPORATING ARYLOXYPROPANOLAMINE MOIETIES BRISTOL-MYERS COMPANY (US) 1986-05-09 WO disclosed
US-4419363-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-06 US disclosed
US-4346111-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE AGENTS, ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-08-24 US disclosed
US-4219561-A ADRENERGIC BLOCKING AGENTS, HYPOTENSIVE, ANTIARRHYTHMIA, ANGINA PECTORIS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-26 US disclosed
US-4216314-A CARDIOSELECTIVE B-ADRENOLYTIC AGENTS, ANTIARRHYTHMIC AGENTS AND HYPOTENSIVE AGENTS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
US-4211878-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-07-08 US disclosed
US-4189505-A Pork-like flavorant and process for preparing same SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1980-02-19 US disclosed