SCHEMBL4763284

SCHEMBL4763284

CC(=O)N1CC(CCN2CC=C(c3ccc4[nH]ccc4c3)CC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.44
DRD2 P14416 2/20 0.44
HTR2A P28223 1/20 0.44
HTR1D P28221 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 5/20 0.36
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
DRD4 P21917 1/20 0.35
CYP2C19 P33261 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4763276 1.00 HTR1A (0.44) HTR1ADRD2HTR2AHTR1DTDP1
SCHEMBL3960016 0.92 HTR1D (0.40) HTR1ADRD2HTR2AHTR1DTDP1
SCHEMBL3960010 0.92 HTR1D (0.40) HTR1ADRD2HTR2AHTR1DTDP1
Hydrochloric Acid SCHEMBL27740058 0.91 HTR1D (0.39) HTR1ADRD2HTR2AHTR1DTDP1
Hydrochloric Acid SCHEMBL27740057 0.91 HTR1D (0.39) HTR1ADRD2HTR2AHTR1DTDP1
SCHEMBL28775840 0.86 HTR1A (0.35) HTR1ADRD2HTR1DTDP1KDM4E
SCHEMBL5423282 0.85 HTR1D (0.39) HTR1ADRD2HTR1DTDP1KDM4E
SCHEMBL4763248 0.85 HTR1D (0.39) HTR1ADRD2HTR1DTDP1KDM4E
SCHEMBL11839372 0.85 HTR1A (0.52) HTR1ADRD2HTR2AKDM4ESIGMAR1
SCHEMBL6789252 0.84 HTR1A (0.47) HTR1ADRD2HTR2AKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928860-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H.Lundbeck A/S (DK) 2008-06-11 EP disclosed
WO-2007019867-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 2007-02-22 WO disclosed