SCHEMBL10874754

SCHEMBL10874754

CC(C)NCC(O)C(N)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.54
ADRB1 P08588 4/20 0.54
ADRB3 P13945 2/20 0.54
CYP2D6 P10635 2/20 0.54
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL11181571 0.79 CYP2D6 (0.53) ADRB2ADRB1ADRB3CYP2D6MTNR1A
SCHEMBL10761611 0.75 ADRB2 (0.54) ADRB2ADRB1ADRB3CYP2D6MTNR1A
SCHEMBL3826640 0.75 LMNA (0.45) MTNR1AMTNR1BMEN1CYP1A2KMT2A
SCHEMBL28393357 0.75 ADRB2 (0.48) ADRB2ADRB1ADRB3CYP2D6
Hydrochloric Acid SCHEMBL5266256 0.73 ALDH1A1 (0.45) MTNR1AMTNR1BMEN1CYP1A2KMT2A
SCHEMBL5382881 0.72 CSNK1E (0.53) ADRB2ADRB1ADRB3CYP2D6
SCHEMBL11180497 0.72 CASR (0.50) ADRB2ADRB1ADRB3CYP2D6MTNR1A
SCHEMBL11187559 0.72 KMT2A (0.49) ADRB2ADRB1ADRB3CYP2D6MTNR1A
SCHEMBL11187665 0.72 ADRB2 (0.44) ADRB2ADRB1ADRB3CYP2D6MEN1
SCHEMBL11191954 0.71 ADRB3 (0.47) ADRB2ADRB1ADRB3CYP2D6CYP1A2

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
EP-0192829-A1 Amino propanol derivatives, process for their preparation, medicines containing these compounds and intermediates Roche Diagnostics GmbH (DE) 1986-09-03 EP disclosed