SCHEMBL7764630

SCHEMBL7764630

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2A P28223 2/20 0.32
ADRA1A P35348 2/20 0.32
SLC6A3 Q01959 2/20 0.32
KCNH2 Q12809 2/20 0.32
NR3C1 P04150 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL7768360 0.85 GLA (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6322890 0.77 NPC1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL6322888 0.77 NPC1 (0.40) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL7530250 0.76 F2 (0.35) RAB9ANPC1ADRA2BADRA2CSLC6A2
SCHEMBL7768591 0.75 CNR2 (0.33) RAB9ASMN1; SMN2NR3C1LMNAMEN1
SCHEMBL6320347 0.74 POLB (0.49) SMN1; SMN2ALDH1A1TSHRADRA2BADRA2C
SCHEMBL6320349 0.74 POLB (0.49) SMN1; SMN2ALDH1A1TSHRADRA2BADRA2C
SCHEMBL7609951 0.72 SMN1; SMN2 (0.36) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL6027885 0.71 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL7611484 0.70 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR

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