SCHEMBL7007149

SCHEMBL7007149

CCC(=O)NCc1cccn1-c1ccc(Cl)c(COS(C)(=O)=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 1/20 0.43
BDKRB2 P30411 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MTNR1B P49286 5/20 0.32
MTNR1A P48039 3/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL7008980 0.92 BDKRB2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL7012618 0.90 BDKRB2 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL7011653 0.84 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL7012849 0.79 BDKRB2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL7006011 0.78 BDKRB2 (0.60) BDKRB2
SCHEMBL7006007 0.78 BDKRB2 (0.60) BDKRB2
SCHEMBL7014193 0.77 GABRA2 (0.36) SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7012925 0.76 BDKRB2 (0.53) BDKRB2
SCHEMBL7012931 0.76 BDKRB2 (0.53) BDKRB2
SCHEMBL7008371 0.76 CNR2 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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