SCHEMBL7768575

SCHEMBL7768575

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A4 P31645 3/20 0.34
CNR2 P34972 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
GHSR Q92847 1/20 0.31
IGF1R P08069 1/20 0.31
HTR2A P28223 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
POLB P06746 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A3 Q01959 2/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 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
SCHEMBL7768591 0.89 CNR2 (0.33) MEN1KMT2ACNR2GAASMN1; SMN2
SCHEMBL7769290 0.87 LMNA (0.37) SLC6A4CNR2SMN1; SMN2LMNAHTT
SCHEMBL7770276 0.84 LMNA (0.35) CNR2SMN1; SMN2LMNAHTT
SCHEMBL7768375 0.82 CNR2 (0.33) MEN1KMT2ACNR2SMN1; SMN2LMNA
SCHEMBL7530250 0.76 F2 (0.35) SLC6A4HTR2ASLC6A2SLC6A3
SCHEMBL6027885 0.70 SMN1; SMN2 (0.46) MEN1KMT2ASLC6A4CNR2SMN1; SMN2
SCHEMBL7609951 0.67 SMN1; SMN2 (0.36) MEN1KMT2ACNR2GAASMN1; SMN2
SCHEMBL7610980 0.66 MEN1 (0.44) MEN1KMT2ASLC6A4SMN1; SMN2LMNA
SCHEMBL7764648 0.65 KMT2A (0.47) MEN1KMT2ACNR2GAASMN1; SMN2
SCHEMBL7611484 0.65 ALDH1A1 (0.38) MEN1KMT2ACNR2GAASMN1; SMN2

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