SCHEMBL30488152

SCHEMBL30488152

CC(C)NC[C@@H](O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 7/20 0.56
ADRB3 P13945 4/20 0.56
ADRB2 P07550 6/20 0.51
TSHR P16473 4/20 0.50
HIF1A Q16665 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 3/20 0.49
MTOR P42345 2/20 0.49
ADRA1A P35348 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL10886485 1.00 ADRB1 (0.56) ADRB1ADRB3ADRB2TSHRHIF1A
SCHEMBL25272115 1.00 ADRB1 (0.56) ADRB1ADRB3ADRB2TSHRHIF1A
SCHEMBL27612119 0.87 ADRB3 (0.54) ADRB1ADRB3ADRB2KDM4ELMNA
SCHEMBL27631241 0.87 ADRB3 (0.54) ADRB1ADRB3ADRB2KDM4ELMNA
SCHEMBL6320255 0.83 SLC6A3 (0.55) ADRB1ADRB3ADRB2TSHRHIF1A
SCHEMBL4048311 0.83 SLC6A3 (0.55) ADRB1ADRB3ADRB2TSHRHIF1A
Hydrochloric Acid SCHEMBL14126604 0.81 HIF1A (0.54) ADRB1ADRB3ADRB2TSHRHIF1A
Bromide SCHEMBL6286509 0.81 SLC6A3 (0.53) ADRB1ADRB3ADRB2TSHRHIF1A
SCHEMBL23367359 0.81 SMN1; SMN2 (0.52) ADRB1ADRB3ADRB2TSHRLMNA
SCHEMBL13673895 0.80 KDM4E (0.49) ADRB1ADRB3ADRB2CYP2D6KDM4E

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
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed