SCHEMBL6984827

SCHEMBL6984827

CC1(C)C(=O)N(CCN2CC=C(c3c[nH]c4c(F)c(F)ccc34)CC2)c2ccc(S(C)(=O)=O)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.43
DRD2 P14416 18/20 0.40
HTR1A P08908 12/20 0.40
SLC6A4 P31645 12/20 0.40
HTR7 P34969 12/20 0.40
HTR6 P50406 12/20 0.40
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 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
Hydrochloric Acid SCHEMBL8142191 0.90 DRD2 (0.46) HTR1DDRD2HTR1ASLC6A4HTR7
SCHEMBL6982129 0.88 HTR1D (0.43) HTR1DDRD2HTR1ASLC6A4HTR7
SCHEMBL6984803 0.88 TDO2 (0.49) DRD2HTR1ASLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL8142767 0.80 DRD2 (0.47) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL8146214 0.78 DRD2 (0.51) HTR1DDRD2HTR1ASLC6A4HTR7
Hydrochloric Acid SCHEMBL8146317 0.77 DRD2 (0.49) DRD2HTR1ASLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL8148639 0.77 DRD2 (0.54) DRD2HTR1ASLC6A4HTR7HTR6
Hydrochloric Acid SCHEMBL8142741 0.76 SLC6A4 (0.51) DRD2HTR1ASLC6A4HTR7HTR6
SCHEMBL6984274 0.76 SLC6A4 (0.48) HTR1DDRD2HTR1ASLC6A4HTR7
SCHEMBL7134574 0.76 SLC6A4 (0.45) HTR1DDRD2HTR1ASLC6A4HTR7

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