SCHEMBL7768358

SCHEMBL7768358

CC(CC(O)(c1ccc(NC(N)=O)cc1)c1ccc(N(Cc2ccccc2)C(N)=O)cc1)NC[C@H](O)COc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 11/20 0.44
ADRB3 P13945 11/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ADRB2 P07550 3/20 0.42
MAPT P10636 1/20 0.41
CYP2D6 P10635 2/20 0.40
OPRK1 P41145 1/20 0.40
CYP1A2 P05177 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
DPP4 P27487 1/20 0.40

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
SCHEMBL7768357 0.88 ADRB1 (0.44) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7768373 0.84 ADRB1 (0.44) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6322703 0.81 MAPT (0.62) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6322699 0.81 MAPT (0.62) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7769288 0.80 KMT2A (0.48) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6323867 0.80 POLB (0.43) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL6323870 0.80 POLB (0.43) ADRB1ADRB3MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6319138 0.78 MAPT (0.51) ADRB1ADRB3MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6319148 0.78 MAPT (0.51) ADRB1ADRB3MEN1KMT2AALDH1A1
SCHEMBL7770274 0.78 ALDH1A1 (0.47) ADRB1ADRB3MEN1KMT2AALDH1A1

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