SCHEMBL8628458

SCHEMBL8628458

CCCN(CCC)C1Cc2n[nH]c3ccc(C(C)=O)c(c23)C1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.64
HTR1D P28221 5/20 0.53
HTR1B P28222 5/20 0.53
DRD2 P14416 2/20 0.53
FYN P06241 1/20 0.43

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
SCHEMBL8631978 0.91 HTR1A (0.53) HTR1AHTR1DHTR1BDRD2FYN
SCHEMBL8629596 0.90 HTR1A (0.52) HTR1AHTR1DHTR1BDRD2FYN
SCHEMBL8629769 0.88 HTR1A (0.50) HTR1AHTR1DHTR1BDRD2FYN
SCHEMBL8630805 0.84 HTR1A (0.44) HTR1AHTR1DHTR1BDRD2
SCHEMBL8631771 0.81 FYN (0.43) HTR1AHTR1DHTR1BFYN
SCHEMBL8627569 0.79 HTR1D (0.51) HTR1AHTR1DHTR1BDRD2FYN
SCHEMBL8631158 0.79 DRD2 (0.46) HTR1DHTR1BDRD2
Ly-293284 SCHEMBL7202815 0.78 HTR1A (1.00) HTR1AHTR1DHTR1BDRD2
Ly-293284 SCHEMBL7204055 0.78 HTR1A (1.00) HTR1AHTR1DHTR1BDRD2
Ly-293284 SCHEMBL6902000 0.78 HTR1A (1.00) HTR1AHTR1DHTR1BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683155-B1 Tetrahydrobenz cd indoles with serotonin regulatory activity LILLY CO ELI (US) 1998-07-01 EP disclosed
EP-0683155-A1 Tetrahydrobenz cd indoles with serotonin regulatory activity ELI LILLY AND COMPANY (US) 1995-11-22 EP disclosed
US-5385928-A Antiserotonine agent ELI LILLY AND COMPANY (US) 1995-01-31 US disclosed