SCHEMBL13685367

SCHEMBL13685367

CC(C)C(C(N)=O)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 9/20 0.37
HTR2A P28223 7/20 0.37
HTR2C P28335 7/20 0.37
ACACB O00763 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
PNMT P11086 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
FFAR2 O15552 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL15589945 0.81 HTR2A (0.36) HTR2BHTR2AHTR2CACACBPNMT
SCHEMBL10230590 0.80 HTR2A (0.37) HTR2BHTR2AHTR2CMEN1RAB9A
SCHEMBL506785 0.80 HTR2A (0.43) HTR2BHTR2AHTR2CKMT2APNMT
SCHEMBL12175402 0.80 HTR2B (0.43) HTR2BHTR2AHTR2CPNMTADRA2A
SCHEMBL2585725 0.80 HTR2B (0.39) HTR2BHTR2AHTR2CPNMTADRA2A
SCHEMBL12175476 0.80 HTR2B (0.44) HTR2BHTR2AHTR2CPNMTADRA2A
SCHEMBL15589993 0.79 HTR2A (0.36) HTR2BHTR2AHTR2CPNMTADRA2A
Succinic Acid SCHEMBL2586811 0.79 HTR2B (0.36) HTR2BHTR2AHTR2CPNMTADRA2A
SCHEMBL2584623 0.79 L3MBTL1 (0.35) HTR2BHTR2AHTR2CGAAL3MBTL1
SCHEMBL16456573 0.79 HTR2A (0.38) HTR2BHTR2AHTR2CPNMTADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed