SCHEMBL7828734

SCHEMBL7828734

CN(C)CCCN1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C19 P33261 1/20 0.53
SIGMAR1 Q99720 4/20 0.51
HTR2A P28223 2/20 0.51
OPRM1 P35372 2/20 0.51
ADORA3 P0DMS8 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
HRH2 P25021 1/20 0.50
CA9 Q16790 1/20 0.50
TMEM97 Q5BJF2 3/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL4328286 0.89 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4904424 0.86 SIGMAR1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27629467 0.85 SIGMAR1 (0.56) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30802045 0.84 SIGMAR1 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30802046 0.84 SIGMAR1 (0.48) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL5154279 0.84 MEN1 (0.58) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9633964 0.83 MEN1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL22788750 0.83 MEN1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30239461 0.83 MEN1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL29300899 0.83 MEN1 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP disclosed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US disclosed
EP-0777653-A1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1997-06-11 EP disclosed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO disclosed
WO-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 WO disclosed