SCHEMBL4764147

SCHEMBL4764147

[CH2][C@@H](CN1CCCC1)c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
LTA4H P09960 3/20 0.43
CHKA P35790 1/20 0.39
CCR2 P41597 1/20 0.37
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
DRD2 P14416 1/20 0.36
ATM Q13315 2/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
PAX8 Q06710 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27985108 0.78 ATM (0.38) HRH3ATMCYP2D6MEN1KMT2A
SCHEMBL15546038 0.76 LTA4H (0.49) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL6650321 0.76 CYP3A4 (0.47) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL27984655 0.74 HRH3 (0.41) HRH3LTA4HALDH1A1ATMSMN1; SMN2
SCHEMBL10434719 0.74 CYP3A4 (0.44) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL8744393 0.74 CYP1A2 (0.45) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL12151256 0.73 LTA4H (0.46) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL12000777 0.73 LTA4H (0.46) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL1372724 0.73 LTA4H (0.46) TDP1L3MBTL1HRH3CYP3A4CYP1A2
SCHEMBL11721357 0.69 GAA (0.56) HTTMEN1KMT2A

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-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP claimed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO claimed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed