SCHEMBL7769288

SCHEMBL7769288

CNc1ccc(C(O)(CC(C)NC[C@H](O)COc2ccccc2)c2ccc(N(C)Cc3ccccc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ADRB1 P08588 7/20 0.44
ADRB3 P13945 7/20 0.44
ADRB2 P07550 4/20 0.44
CYP2D6 P10635 2/20 0.44
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
DPP4 P27487 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7770274 0.80 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL6322846 0.80 ADRB2 (0.63) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL6322852 0.80 ADRB2 (0.63) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL7768358 0.80 ADRB1 (0.44) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL7768357 0.79 ADRB1 (0.44) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL6319575 0.79 ADRB1 (0.48) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL6319580 0.79 ADRB1 (0.48) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL6323866 0.78 ADRB2 (0.58) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL6323862 0.78 ADRB2 (0.58) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL6323874 0.78 POLB (0.47) KMT2AMEN1ALDH1A1ADRB1ADRB3

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
EP-1107944-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-20 EP disclosed
WO-2000012462-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-03-09 WO disclosed