SCHEMBL7770332

SCHEMBL7770332

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 2/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
OPRK1 P41145 1/20 0.47
ALOX15 P16050 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL7770327 1.00 MAPT (0.54) MAPTMEN1KMT2ATSHRCYP2D6
Hydrochloric Acid SCHEMBL7768569 0.90 NPC1 (0.46) MAPTADRB1ADRB3NPC1RAB9A
SCHEMBL7772527 0.90 SMN1; SMN2 (0.47) MAPTMEN1KMT2ATSHRADRB1
SCHEMBL7768353 0.89 RAB9A (0.50) MAPTMEN1KMT2ACYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7769434 0.86 RAB9A (0.50) MAPTTSHRCYP2D6CYP2C19CYP1A2
SCHEMBL7769549 0.83 ADRB2 (0.52) MEN1KMT2AADRB2ADRB1ADRB3
SCHEMBL6321815 0.78 MAPT (0.66) MAPTMEN1KMT2ATSHRCYP2D6
SCHEMBL6321825 0.78 MAPT (0.66) MAPTMEN1KMT2ATSHRCYP2D6
SCHEMBL7770335 0.76 MAPT (0.46) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9661011 0.75 MAPT (0.78) MAPTMEN1KMT2ATSHRCYP2D6

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