SCHEMBL6953124

SCHEMBL6953124

N#Cc1ccc2ccc(CN(c3ccc(OC4CCNCC4)cc3)S(=O)(=O)c3ccc(N)cc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
RORA P35398 1/20 0.46
NR3C1 P04150 4/20 0.46
PGR P06401 1/20 0.46
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 5/20 0.43
KCNH2 Q12809 4/20 0.43
SLC6A3 Q01959 4/20 0.43
F10 P00742 3/20 0.43
HTR3A P46098 1/20 0.42
F2 P00734 1/20 0.41
KDM1A O60341 1/20 0.40
PTGES O14684 3/20 0.40
ALOX5 P09917 3/20 0.40
POLB P06746 1/20 0.39
STS P08842 1/20 0.37
CYP19A1 P11511 1/20 0.37

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
Hydrochloric Acid SCHEMBL6956045 0.84 F10 (0.60) KCNH2F10F2PTGESALOX5
Hydrochloric Acid SCHEMBL6955750 0.77 F10 (0.60) KCNH2F10F2PTGESALOX5
Hydrochloric Acid SCHEMBL6950070 0.76 F10 (0.56) NR3C1KCNH2F10F2PTGES
SCHEMBL6951059 0.76 GPR119 (0.53) RORCRORANR3C1PGRKCNH2
SCHEMBL6948611 0.76 GPR119 (0.51) RORCRORANR3C1PGRKCNH2
SCHEMBL6955725 0.75 GPR119 (0.49) RORCRORANR3C1KCNH2F10
SCHEMBL8477023 0.74 F10 (0.44) RORCRORANR3C1PGRKCNH2
Hydrochloric Acid SCHEMBL6959888 0.72 F10 (0.80) KCNH2F10F2
SCHEMBL6959862 0.71 GPR119 (0.49) RORCRORANR3C1KCNH2F10
SCHEMBL6955324 0.71 F10 (0.58) RORCRORAKCNH2F10F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798295-B1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-02-26 EP disclosed
US-5869501-A PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS OR EMBOLUS. YAMANOUCHI PHARMACEUTICAL CO. LTD (JP) 1999-02-09 US disclosed
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 EP disclosed