SCHEMBL7007628

SCHEMBL7007628

Cc1ccc(-c2ccccc2C#N)c(C)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
TSHR P16473 1/20 0.43
NSD2 O96028 1/20 0.36
PTPN5 P54829 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GALR3 O60755 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA4 P48058 1/20 0.33
MAOA P21397 1/20 0.33
KDM5A P29375 1/20 0.33

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
SCHEMBL11134281 0.78 TSHR (0.39) TSHRALDH1A1KDM4EMAOAAR
SCHEMBL28360395 0.78 CD274 (0.59) ESR2TSHRPTPN5ALDH1A1GAA
SCHEMBL7008783 0.76 TSHR (0.36) ESR2TSHRALDH1A1GAAKDM4E
SCHEMBL1372979 0.75 NSD2 (0.44) ESR2TSHRNSD2PTPN5ALDH1A1
SCHEMBL6027622 0.74 PDCD1 (0.53) ESR2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2186556 0.74 TSHR (0.52) ESR2TSHRPTPN5ALDH1A1GAA
SCHEMBL23625536 0.73 TSHR (0.52) ESR2TSHRALDH1A1GAAKDM4E
SCHEMBL7013243 0.72 TSHR (0.32) ESR2TSHRKDM5A
SCHEMBL1472952 0.72 TSHR (0.67) ESR2TSHRALDH1A1GAAKDM4E
SCHEMBL7667378 0.71 ESR2 (0.53) ESR2TSHRPTPN5ALDH1A1GALR3

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