SCHEMBL7768591

SCHEMBL7768591

CC(O)C(Oc1ccccc1)N(Cc1ccccc1)[C@H](CO)CC(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NR3C1 P04150 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BCHE P06276 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 2/20 0.30
MAPT P10636 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL7768575 0.89 MEN1 (0.35) CNR2SMN1; SMN2LMNAHTTMEN1
SCHEMBL7769290 0.87 LMNA (0.37) CNR2SMN1; SMN2LMNAHTTMAPT
SCHEMBL7530250 0.87 F2 (0.35) NR3C1MAOBRAB9A
SCHEMBL7770276 0.84 LMNA (0.35) CNR2SMN1; SMN2LMNAHTT
SCHEMBL7768375 0.82 CNR2 (0.33) CNR2SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7609951 0.78 SMN1; SMN2 (0.36) CNR2SMN1; SMN2LMNAHTTNR3C1
SCHEMBL7611484 0.76 ALDH1A1 (0.38) CNR2SMN1; SMN2LMNAHTTMEN1
SCHEMBL7764630 0.75 RAB9A (0.32) SMN1; SMN2LMNAHTTNR3C1MEN1
SCHEMBL6027885 0.70 SMN1; SMN2 (0.46) CNR2SMN1; SMN2LMNAHTTMEN1
SCHEMBL7610980 0.66 MEN1 (0.44) SMN1; SMN2LMNAHTTMEN1KMT2A

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