SCHEMBL7012852

SCHEMBL7012852

CCC(=O)NCc1cccn1-c1cc(CO[SiH](c2ccccc2)c2ccccc2)c(Cl)c(C(C)(C)C)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.33
MTNR1A P48039 4/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TRPV1 Q8NER1 2/20 0.30

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
SCHEMBL7005744 0.92 SETDB1 (0.31) CYP1A2CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL7006536 0.82
SCHEMBL7012305 0.82 POLB (0.38)
SCHEMBL7013360 0.80 KDM4E (0.34) KDM4EGAA
SCHEMBL7014982 0.80
SCHEMBL7011253 0.78 GAA (0.38) CYP1A2GAA
SCHEMBL7008200 0.78 BDKRB2 (0.52) KDM4E
SCHEMBL7007703 0.76
SCHEMBL7014815 0.75
SCHEMBL7013638 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861243-B1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-11-12 EP disclosed
US-6344462-B1 Heterocyclic compounds as bradykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-05 US disclosed
US-6100284-A ANTIALLERGENS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-08 US disclosed
US-6008229-A TREATING ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed