SCHEMBL7804944

SCHEMBL7804944

FC(F)(F)c1cccc(N2CCN(CCCn3ccc4cc(-n5cnnc5)ccc43)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 3/20 0.51
DRD5 P21918 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
HTR2A P28223 3/20 0.48
SLC6A4 P31645 2/20 0.48
HTR7 P34969 5/20 0.48
HTR1A P08908 2/20 0.48
ADRA1A P35348 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HTR6 P50406 1/20 0.46

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 SCHEMBL8021813 0.99 DRD2 (0.50) DRD2DRD3DRD5SIGMAR1HTR2A
SCHEMBL7808859 0.93 DRD2 (0.51) DRD2DRD3DRD5SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL8035305 0.92 DRD2 (0.50) DRD2DRD3DRD5SIGMAR1HTR2A
SCHEMBL15748105 0.82 SIGMAR1 (0.56) DRD2DRD3DRD5SIGMAR1HTR2A
SCHEMBL15747983 0.82 HTR2A (0.64) DRD2DRD3DRD5SIGMAR1HTR2A
SCHEMBL7804083 0.80 SLC6A2 (0.49) DRD2DRD3DRD5SIGMAR1HTR2A
SCHEMBL15748140 0.80 SIGMAR1 (0.53) DRD2DRD3DRD5SIGMAR1HTR2A
Hydrochloric Acid SCHEMBL8037884 0.80 SLC6A2 (0.49) DRD2DRD3DRD5SIGMAR1HTR2A
SCHEMBL15748136 0.79 SERPINE1 (0.56) DRD2DRD3DRD5SIGMAR1HTR2A
SCHEMBL7806971 0.78 DRD3 (0.60) DRD2DRD3SIGMAR1HTR7HTR1A

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-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed