SCHEMBL11546112

SCHEMBL11546112

Cc1cnc(OCCNCC(O)COc2ccccc2C)cn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GRK3 P35626 2/20 0.50
CYP1A2 P05177 1/20 0.48
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL11548789 0.85 GRK3 (0.54) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11546543 0.81 ADRB2 (0.56) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11545627 0.81 KDM4E (0.53) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11547643 0.80 KDM4E (0.52) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11546238 0.80 GRK3 (0.53) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL10742969 0.80 KDM4E (0.51) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11364907 0.80 ADRB2 (0.66) ADRB2ADRB1ADRB3KMT2AKDM4E
SCHEMBL11360960 0.80 KDM4E (0.58) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL10738940 0.79 KDM4E (0.50) ADRB2ADRB1ADRB3KMT2AMEN1
Hydrochloric Acid SCHEMBL10743807 0.78 KDM4E (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 US disclosed