SCHEMBL7013243

SCHEMBL7013243

Cc1ccc(-c2ccccc2C#N)c(C)c1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
KDM5A P29375 1/20 0.31
ESR2 Q92731 1/20 0.31
PTPN1 P18031 1/20 0.30
NAAA Q02083 1/20 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
SCHEMBL7011374 0.83 PGR (0.31)
SCHEMBL7791522 0.78 NAAA (0.33) SLC22A12NAAA
SCHEMBL6648058 0.76 SMYD2 (0.32)
SCHEMBL7012935 0.75
SCHEMBL7005482 0.75 BDKRB2 (0.31)
SCHEMBL20983501 0.74 CYP3A4 (0.33) SLC22A12
SCHEMBL7008882 0.74 MAOA (0.34)
SCHEMBL7008783 0.72 TSHR (0.36) TSHRKDM5AESR2
SCHEMBL7007628 0.72 ESR2 (0.44) TSHRKDM5AESR2
SCHEMBL6642804 0.71 SMN1; SMN2 (0.37) TSHR

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 6 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
EP-0861243-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-09-02 EP disclosed
WO-1997011069-A1 HETEROCYCLIC COMPOUNDS AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-03-27 WO disclosed