SCHEMBL6976036

SCHEMBL6976036

OCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.63
TDO2 P48775 1/20 0.60
SLC6A4 P31645 5/20 0.59
DRD2 P14416 7/20 0.56
ADRA1D P25100 1/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
HTR2A P28223 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GMNN O75496 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56

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
SCHEMBL11223590 0.83 KDM4E (0.73) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL7865112 0.82 SLC6A4 (0.81) HTR1ATDO2SLC6A4KDM4ELMNA
SCHEMBL15064476 0.79 SLC6A4 (0.69) HTR1ASLC6A4DRD2HTR2ADRD4
SCHEMBL2935540 0.79 OPRM1 (0.53) HTR1ASLC6A4DRD2HTR2AKDM4E
SCHEMBL10366941 0.79 OPRM1 (0.71) HTR1ASLC6A4DRD2HTR7HTR6
SCHEMBL5473105 0.78 HTR1A (1.00) HTR1A
SCHEMBL28097370 0.78 TDO2 (0.65) HTR1ATDO2SLC6A4DRD2ADRA1D
SCHEMBL791945 0.77 DRD2 (0.70) HTR1ASLC6A4DRD2HTR2ADRD4
SCHEMBL6811694 0.77 HTR1D (0.67) HTR1ATDO2SLC6A4DRD2ADRA1D
SCHEMBL6812201 0.77 SLC6A4 (0.58) HTR1ATDO2SLC6A4DRD2ADRA1D

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-1131321-B1 INDOLE DERIVATIVES AND THEIR USE AS SEROTONIN RECEPTOR LIGANDS LILLY CO ELI (GB) 2003-09-10 EP disclosed
US-6329366-B1 HETEROCYCLIC, PIPERIDINE, INDOLE DERIVITIVES FOR TREATMENT OF NERVOUS SYSTEM DISORDERS AND SEROTONIN ANTAGONIST ELI LILLY AND COMPANY LIMITED (GB) 2001-12-11 US disclosed