SCHEMBL7008980

SCHEMBL7008980

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.40
CNR2 P34972 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 3/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7007149 0.92 CYP1A2 (0.43) BDKRB2CNR2CYP3A4CYP2C19CYP1A2
SCHEMBL7012618 0.88 BDKRB2 (0.42) BDKRB2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL7008371 0.85 CNR2 (0.40) BDKRB2CNR2CYP3A4CYP2C19CYP1A2
SCHEMBL7005681 0.79 BDKRB2 (0.40) BDKRB2CNR2CYP3A4CYP2C19CYP1A2
SCHEMBL7008977 0.78 GAA (0.34) BDKRB2CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL7006007 0.76 BDKRB2 (0.60) BDKRB2
SCHEMBL7006011 0.76 BDKRB2 (0.60) BDKRB2
SCHEMBL7011653 0.76 CYP1A2 (0.49) BDKRB2CNR2CYP3A4CYP2C19CYP1A2
SCHEMBL7014193 0.76 GABRA2 (0.36) L3MBTL1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7012931 0.74 BDKRB2 (0.53) BDKRB2

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