SCHEMBL11543752

SCHEMBL11543752

Cc1ccc(Cl)c(OCC(O)CNCCOc2ccc(C(N)=O)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
ADRB2 P07550 4/20 0.47
ADRB1 P08588 4/20 0.47
ADRB3 P13945 3/20 0.47
CYP1A2 P05177 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ABCB1 P08183 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11543785 0.85 ADRB2 (0.56) ATMADRB2ADRB1ADRB3CYP1A2
SCHEMBL11545485 0.82 ADRB2 (0.51) ATMADRB2ADRB1ADRB3CYP1A2
Tolamolol SCHEMBL611643 0.81 ATM (0.59) ATMADRB2ADRB1ADRB3CYP1A2
Tolamolol SCHEMBL613511 0.81 ATM (0.59) ATMADRB2ADRB1ADRB3CYP1A2
SCHEMBL11811984 0.81 MEN1 (0.61) ATMADRB2ADRB1MEN1KMT2A
SCHEMBL11549141 0.81 ATM (0.53) ATMADRB2ADRB1ADRB3CYP1A2
Tolamolol SCHEMBL8057907 0.81 ATM (0.58) ATMADRB2ADRB1ADRB3CYP1A2
Hydrochloric Acid SCHEMBL11815902 0.80 KMT2A (0.60) ADRB2ADRB1MEN1KMT2AABCB1
SCHEMBL11814203 0.79 KMT2A (0.58) ADRB2ADRB1MEN1KMT2AABCB1
SCHEMBL11809879 0.78 KMT2A (0.57) ADRB2ADRB1MEN1KMT2AABCB1

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-4165384-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS AKTIEBOLAGET HASSLE (SE) 1979-08-21 US disclosed