SCHEMBL7768360

SCHEMBL7768360

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
NPY5R Q15761 5/20 0.39
POLB P06746 1/20 0.38
MTOR P42345 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
LTA4H P09960 1/20 0.35

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
SCHEMBL7764630 0.85 RAB9A (0.32) GLASMN1; SMN2POLBNPC1RAB9A
SCHEMBL6323870 0.77 POLB (0.43) GLASMN1; SMN2POLBNPC1RAB9A
SCHEMBL6323867 0.77 POLB (0.43) GLASMN1; SMN2POLBNPC1RAB9A
SCHEMBL6319153 0.71 SMN1; SMN2 (0.48) SMN1; SMN2NPY5RMTORNPC1RAB9A
SCHEMBL6319157 0.71 SMN1; SMN2 (0.48) SMN1; SMN2NPY5RMTORNPC1RAB9A
SCHEMBL7768358 0.70 ADRB1 (0.44) MEN1KMT2AALDH1A1
SCHEMBL6320365 0.70 HTT (0.53) SMN1; SMN2POLBMTORNPC1RAB9A
SCHEMBL6320371 0.70 HTT (0.53) SMN1; SMN2POLBMTORNPC1RAB9A
SCHEMBL6322165 0.68 SMN1; SMN2 (0.46) GLASMN1; SMN2POLBNPC1RAB9A
SCHEMBL6322166 0.68 SMN1; SMN2 (0.46) GLASMN1; SMN2POLBNPC1RAB9A

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