SCHEMBL7836232

SCHEMBL7836232

COC(=O)/C(=C\c1c(Cl)cccc1Cl)C(=O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 1/20 0.45
HPGD P15428 1/20 0.44
PLAAT5 Q96KN8 8/20 0.42
PLAAT4 Q9UL19 8/20 0.42
PLAAT3 P53816 7/20 0.42
PLAAT2 Q9NWW9 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7836234 1.00 MEN1 (0.45) MEN1KMT2AP2RX7HPGDPLAAT5
SCHEMBL6161533 0.83 PLAAT3 (0.37) KMT2AHPGDPLAAT5PLAAT4PLAAT3
SCHEMBL6161539 0.83 PLAAT3 (0.37) KMT2AHPGDPLAAT5PLAAT4PLAAT3
SCHEMBL11778569 0.80 MAPT (0.45) MEN1KMT2AHPGDALDH1A1
SCHEMBL7494539 0.79 L3MBTL1 (0.44) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL6975399 0.78 ALDH1A1 (0.36) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL6153056 0.76 BACE1 (0.40) MEN1KMT2AHPGDPLAAT5PLAAT4
SCHEMBL6153057 0.76 BACE1 (0.40) MEN1KMT2AHPGDPLAAT5PLAAT4
SCHEMBL991969 0.75 ALDH1A1 (0.57) PLAAT5PLAAT4PLAAT3PLAAT2ALDH1A1
SCHEMBL6153271 0.75 PLAAT3 (0.34) MEN1KMT2AHPGDPLAAT5PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790239-B1 Novel 4-phenyl-2-(piperazinyl/perhydrodiazepinyl/aminoalkyl)carbonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid derivatives as bradykinin receptor antagonists PFIZER (US) 2001-09-12 EP disclosed
EP-0777653-B1 DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS PFIZER (US) 2001-08-22 EP disclosed
US-5861402-A BRADYKININ ANTAGONISTS USEFUL FOR THE TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, COMMON COLD, ALLERGIES, ASTHMA, PANCREATITIS, BURNS, VIRUS INFECTION, HEAD INJURY, MULTIPLE TRAUMA PFIZER PHARMACEUTICALS, INC. (JP) 1999-01-19 US disclosed
US-5859011-A Dihydropyridine derivatives as bradykinin antagonist PFIZER INC. (US) 1999-01-12 US disclosed
EP-0790239-A1 Novel 4-phenyl-2-(piperazinyl/perhydrodiazepinyl/aminoalkyl)carbonylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid derivatives as bradykinin receptor antagonists PFIZER INC. (US) 1997-08-20 EP 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