SCHEMBL7768357

SCHEMBL7768357

COC(=O)Nc1ccc(C(O)(CC(C)NC[C@H](O)COc2ccccc2)c2ccc(N(Cc3ccccc3)C(=O)OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 9/20 0.44
ADRB3 P13945 9/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
ADRB2 P07550 3/20 0.41
MAPT P10636 1/20 0.40
NR3C1 P04150 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DPP4 P27487 1/20 0.40
CYP2D6 P10635 2/20 0.39
OPRK1 P41145 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7768373 0.90 ADRB1 (0.44) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7768358 0.88 ADRB1 (0.44) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6319575 0.81 ADRB1 (0.48) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6319580 0.81 ADRB1 (0.48) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6322699 0.80 MAPT (0.62) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6322703 0.80 MAPT (0.62) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7769288 0.79 KMT2A (0.48) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6322165 0.79 SMN1; SMN2 (0.46) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6322166 0.79 SMN1; SMN2 (0.46) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7597017 0.79 MEN1 (0.53) ADRB1ADRB3MEN1KMT2AADRB2

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