SCHEMBL3832298

SCHEMBL3832298

CCCCOC(=O)N1[CH]CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 5/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 5/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
BCHE P06276 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1428179 0.95 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL360407 0.84 TSHR (0.39) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL360446 0.79 TSHR (0.40) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL7837036 0.78 L3MBTL1 (0.53) SMN1; SMN2POLBKMT2AMAPTTP53
SCHEMBL1859157 0.75 SMN1; SMN2 (0.69) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL6754852 0.75 SMN1; SMN2 (0.47) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL11492059 0.74 SMN1; SMN2 (0.67) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL7838421 0.74 SMN1; SMN2 (0.67) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL1826048 0.74 SMN1; SMN2 (0.67) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL361276 0.73 PKM (0.33) SMN1; SMN2KMT2AMAPTALDH1A1HPGD

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 10 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 claimed
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 claimed
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 claimed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US claimed
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 EP disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 WO disclosed
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
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
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