SCHEMBL7839233

SCHEMBL7839233

COC(CNC[C@H](O)COc1ccccc1)Cc1ccc(Oc2ccnc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.42
ADRB3 P13945 6/20 0.42
CASR P41180 2/20 0.42
ADRB2 P07550 3/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2D6 P10635 1/20 0.38
ATM Q13315 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
SCHEMBL6489526 0.84 ADRB1 (0.49) ADRB1ADRB3CASRADRB2MEN1
SCHEMBL6489528 0.84 ADRB1 (0.49) ADRB1ADRB3CASRADRB2MEN1
SCHEMBL6480809 0.81 CASR (0.45) ADRB1ADRB3CASRADRB2MEN1
SCHEMBL6479255 0.81 ADRB3 (0.56) ADRB1ADRB3CASRADRB2MEN1
SCHEMBL6479253 0.81 ADRB3 (0.56) ADRB1ADRB3CASRADRB2MEN1
SCHEMBL7694546 0.77 ADRB3 (0.56) ADRB1ADRB3CASRADRB2MEN1
SCHEMBL7694548 0.77 ADRB3 (0.56) ADRB1ADRB3CASRADRB2MEN1
SCHEMBL7692661 0.76 MEN1 (0.47) ADRB1ADRB3CASRADRB2MEN1
SCHEMBL7687852 0.75 ADRB3 (0.59) ADRB1ADRB3CASRADRB2KMT2A
SCHEMBL6532071 0.75 ADRB3 (0.59) ADRB1ADRB3CASRKMT2ACYP2D6

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-1140849-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040560-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA 3 ADRENERGIC AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO disclosed