SCHEMBL6944388

SCHEMBL6944388

CCCO[C@@H]1C[C@@H](C(=O)NC)N(C(=O)OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
PTPN1 P18031 1/20 0.46
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
AGTR2 P50052 1/20 0.42
PRCP P42785 1/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
CTRB1 P17538 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
SCHEMBL6944387 1.00 POLB (0.49) POLBPTPN1LMNATSHRL3MBTL1
SCHEMBL6939240 0.91 POLB (0.51) POLBPTPN1LMNATSHRL3MBTL1
SCHEMBL6939235 0.91 POLB (0.51) POLBPTPN1LMNATSHRL3MBTL1
SCHEMBL12849519 0.89 AGTR2 (0.46) POLBAGTR2TMEM97SIGMAR1SMN1; SMN2
SCHEMBL6936885 0.89 AGTR2 (0.46) POLBAGTR2TMEM97SIGMAR1SMN1; SMN2
SCHEMBL6936913 0.87 POLB (0.53) POLBPTPN1LMNATSHRL3MBTL1
SCHEMBL6936914 0.87 POLB (0.53) POLBPTPN1LMNATSHRL3MBTL1
SCHEMBL6941472 0.86 POLB (0.48) POLBPTPN1LMNATSHRL3MBTL1
SCHEMBL6941470 0.86 POLB (0.48) POLBPTPN1LMNATSHRL3MBTL1
SCHEMBL6936752 0.84 POLB (0.50) POLBPTPN1LMNATSHRL3MBTL1

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-1155013-B1 HETEROCYCLIC BENZENESULPHONAMIDE COMPOUNDS AS BRADYKININE ANTAGONISTS FOURNIER IND & SANTE (FR) 2003-07-23 EP disclosed
US-6479515-B1 FOR THE TREATMENT OF PAIN AND INFLAMMATION, AND ESPECIALLY IN THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS FOURNIER INDUSTRIE ET SANTE (FR) 2002-11-12 US disclosed