SCHEMBL6464056

SCHEMBL6464056

CC(Oc1ccccc1/C=C1\CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.36
HTR2C P28335 5/20 0.36
HTR2A P28223 4/20 0.36
HTR2B P41595 4/20 0.36
SLC6A2 P23975 8/20 0.35
SLC6A4 P31645 8/20 0.35
BCL2A1 Q16548 1/20 0.35
SLC6A3 Q01959 5/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6464066 1.00 DYRK1A (0.36) DYRK1AHTR2CHTR2AHTR2BSLC6A2
SCHEMBL6464061 0.80 HTR2C (0.54) HTR2CHTR2AHTR2BDRD3
SCHEMBL6468100 0.78 HTR2C (0.56) DYRK1AHTR2CHTR2AHTR2BSLC6A2
SCHEMBL6468095 0.78 HTR2C (0.56) DYRK1AHTR2CHTR2AHTR2BSLC6A2
SCHEMBL6431435 0.73 BCL2A1 (0.46) SLC6A2SLC6A4BCL2A1SLC6A3DRD2
SCHEMBL6431436 0.73 BCL2A1 (0.46) SLC6A2SLC6A4BCL2A1SLC6A3DRD2
SCHEMBL6466632 0.71 HTR2A (0.40) DYRK1AHTR2CHTR2ASLC6A2SLC6A4
SCHEMBL6466626 0.71 HTR2A (0.40) DYRK1AHTR2CHTR2ASLC6A2SLC6A4
SCHEMBL6464076 0.71 HTR2A (0.40) DYRK1AHTR2CHTR2ASLC6A2SLC6A4
SCHEMBL6464074 0.71 HTR2A (0.40) DYRK1AHTR2CHTR2ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924289-B2 Benzyl(Idene)-lactam derivatives, their preparation and their use as selective (ANT) agonists of 5-HT1A- and/or 5-HT1D receptors PFIZER INC (US) 2005-08-02 US disclosed
US-6462048-B2 3-(2-(4-METHYLPIPERAZIN-1-YL)-BENZYLIDENE)-1,3-DIHYDRO-INDOL-2-ONE FOR EXAMPLE; USEFUL AS PSYCHOTHERAPEUTIC AGENTS PFIZER INC. 2002-10-08 US disclosed
EP-0894085-A1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS PFIZER INC. (US) 1999-02-03 EP disclosed
WO-1997036867-A1 BENZYL(IDENE)-LACTAM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS SELECTIVE (ANT)AGONISTS OF 5-HT1A- AND/OR 5-HT1D RECEPTORS PFIZER INC. (US) 1997-10-09 WO disclosed