SCHEMBL7772500

SCHEMBL7772500

CSc1ccc(C(O)(CC(C)C(N)[C@@H](O)COc2ccccc2)c2ccc(SC)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
KIF11 P52732 1/20 0.38
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
CYP2D6 P10635 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
SCN4A P35499 2/20 0.34
MAOB P27338 1/20 0.33
AOC3 Q16853 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 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
SCHEMBL7772518 0.87 LMNA (0.43) LMNAKIF11MAOAPTGS1CYP2D6
SCHEMBL7764652 0.86 CASR (0.44) LMNAKIF11KMT2AL3MBTL1KDM4E
SCHEMBL7764611 0.82 LMNA (0.39) LMNAKIF11MAOAPTGS1CYP2D6
SCHEMBL7764613 0.82 LMNA (0.39) LMNAKIF11MAOAPTGS1CYP2D6
SCHEMBL7770269 0.80 LMNA (0.40) LMNAKIF11KMT2AMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7769555 0.77 MLYCD (0.41) ADRB1ADRB3KMT2AL3MBTL1
SCHEMBL7768603 0.77 RAB9A (0.48) LMNACYP2D6MTNR1BKDM4ETSHR
SCHEMBL6322829 0.76 ADRB2 (0.54) PTGS1CYP2D6ADRB2ADRB1ADRB3
SCHEMBL6322832 0.76 ADRB2 (0.54) PTGS1CYP2D6ADRB2ADRB1ADRB3
SCHEMBL7772503 0.72 KIF11 (0.39) LMNAKIF11MAOACYP2D6KDM4E

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