SCHEMBL6941470

SCHEMBL6941470

CNC(=O)C1CC(OCC2CC2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PTPN1 P18031 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GFER P55789 1/20 0.41
HCRTR2 O43614 1/20 0.41
CTRB1 P17538 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
PREP P48147 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 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
SCHEMBL6941472 1.00 POLB (0.48) POLBPTPN1NPSR1TSHRL3MBTL1
SCHEMBL6939240 0.88 POLB (0.51) POLBPTPN1NPSR1TSHRL3MBTL1
SCHEMBL6939235 0.88 POLB (0.51) POLBPTPN1NPSR1TSHRL3MBTL1
SCHEMBL6941072 0.88 AGTR2 (0.48) POLBRAB9ANPC1SMN1; SMN2HCRTR2
SCHEMBL6944388 0.86 POLB (0.49) POLBPTPN1NPSR1TSHRL3MBTL1
SCHEMBL6944387 0.86 POLB (0.49) POLBPTPN1NPSR1TSHRL3MBTL1
SCHEMBL6936913 0.86 POLB (0.53) POLBPTPN1NPSR1TSHRL3MBTL1
SCHEMBL6936914 0.86 POLB (0.53) POLBPTPN1NPSR1TSHRL3MBTL1
SCHEMBL6936752 0.83 POLB (0.50) POLBPTPN1NPSR1TSHRL3MBTL1
SCHEMBL6936748 0.83 POLB (0.50) POLBPTPN1NPSR1TSHRL3MBTL1

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