SCHEMBL7939228

SCHEMBL7939228

CS(=O)(=O)OC[C@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.52
ACE2 Q9BYF1 3/20 0.51
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
DAGLB Q8NCG7 1/20 0.48
GFER P55789 1/20 0.48
CTRB1 P17538 1/20 0.47

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
SCHEMBL1873488 1.00 PREP (0.52) PREPACE2NPSR1TSHRCYP3A4
SCHEMBL6597133 1.00 PREP (0.52) PREPACE2NPSR1TSHRCYP3A4
SCHEMBL31211830 0.93 F2 (0.50) PREPACE2RAB9A
SCHEMBL3130196 0.91 PREP (0.50) PREPACE2NPSR1TSHRCYP3A4
SCHEMBL3119462 0.89 DAGLB (0.49) PREPACE2NPSR1TSHRCYP3A4
SCHEMBL8342143 0.89 DAGLB (0.49) PREPACE2NPSR1TSHRCYP3A4
SCHEMBL8342145 0.89 DAGLB (0.49) PREPACE2NPSR1TSHRCYP3A4
SCHEMBL1873676 0.87 PREP (0.53) PREPACE2NPSR1TSHRCYP3A4
SCHEMBL5786248 0.87 PREP (0.53) PREPACE2NPSR1TSHRCYP3A4
SCHEMBL791439 0.86 PREP (0.57) PREPACE2NPSR1TSHRL3MBTL1

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
US-6245796-B1 NERVOUS SYSTEM DISORDERS; SEXUAL DISORDERS; SLEEP DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-12 US disclosed
EP-0990650-A1 TRICYCLIC PYRROLE OR PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-04-05 EP disclosed