SCHEMBL8742268

SCHEMBL8742268

COc1ccc([C@@H](O)[C@H](C)NCCc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ADRB2 P07550 2/20 0.59
LMNA P02545 2/20 0.59
HIF1A Q16665 2/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
OPRM1 P35372 2/20 0.59
CYP2D6 P10635 1/20 0.59
GALR3 O60755 1/20 0.59
ADRB1 P08588 1/20 0.59
ADRA1A P35348 1/20 0.59
OPRK1 P41145 1/20 0.59
SLC6A3 Q01959 1/20 0.59
SIGMAR1 Q99720 2/20 0.57
ADRB3 P13945 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
POLB P06746 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL5076511 1.00 BCHE (0.59) BCHEMEN1KMT2AADRB2LMNA
SCHEMBL5076440 0.94 HIF1A (0.62) BCHEMEN1KMT2AADRB2LMNA
SCHEMBL5079112 0.94 HIF1A (0.62) BCHEMEN1KMT2AADRB2LMNA
SCHEMBL5076518 0.94 HIF1A (0.62) BCHEMEN1KMT2AADRB2LMNA
SCHEMBL5082763 0.85 ADRB2 (0.81) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL19329942 0.82 MEN1 (0.58) MEN1KMT2ALMNAHIF1ASLC6A2
SCHEMBL5076510 0.82 KMT2A (0.52) MEN1KMT2AADRB2LMNAHIF1A
SCHEMBL18472985 0.80 MEN1 (0.84) BCHEMEN1KMT2ALMNACYP2D6
SCHEMBL7728737 0.80 ADRB2 (0.60) ADRB2LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7728744 0.80 ADRB2 (0.60) ADRB2LMNAHIF1ASLC6A2SLC6A4

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-0603414-B1 (-)-RITODRINE MEIJI SEIKA CO (JP) 1997-02-12 EP disclosed
EP-0603414-A1 (-)-RITODRINE MEIJI SEIKA KABUSHIKI KAISHA (JP) 1994-06-29 EP disclosed