SCHEMBL7491122

SCHEMBL7491122

COC(=O)CC1=C(C(=O)O)C(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CSc2ccccc2)N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.34
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LDHA P00338 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
SCHEMBL7492036 0.93 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTRECQL
SCHEMBL6153144 0.90 PPARG (0.35) MEN1KMT2AALDH1A1L3MBTL1HPGD
SCHEMBL8049696 0.90 ALDH1A1 (0.37) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL8049659 0.89 CYP2C9 (0.44) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6154669 0.83 MEN1 (0.36) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL7836265 0.83 SLC7A5 (0.39) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6153461 0.81 CYP4F2 (0.34) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7838118 0.80 LMNA (0.38) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL7497457 0.79 SLC7A5 (0.32) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6946876 0.79 TTR (0.35) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882044-B1 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS PFIZER (US) 2002-07-17 EP disclosed
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP disclosed
US-6156752-A Optically active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC (US) 2000-12-05 US disclosed
US-6131226-A 2-SUBSTITUTED,3,5-BIS(METHOXYCARBONYL),4-(2,6-DIHALOPHENYL), 6-(1-((SUBSTITUTED)RING)PIPERAZIN-1,4-YLENE-CARBONYLMETHYL)-1, 4-DIHYDROPYRIDINES; FOR TREATING INFLAMMATION, PAIN, VIRAL INFECTIONS, CARDIOVASCULAR DISEASE, ALLERGIES, ASTHMA PFIZER INC. (US) 2000-10-17 US disclosed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 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-1996006082-A1 DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER INC. (US) 1996-02-29 WO disclosed
WO-1996006083-A1 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 1996-02-29 WO disclosed