SCHEMBL8631128

SCHEMBL8631128

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 7/20 0.35
HTR1B P28222 7/20 0.35
DRD2 P14416 4/20 0.35
HTR1A P08908 5/20 0.34
OPRM1 P35372 2/20 0.34

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
SCHEMBL8631771 0.83 FYN (0.43) HTR1DHTR1BHTR1A
SCHEMBL8628458 0.73 HTR1A (0.64) HTR1DHTR1BDRD2HTR1A
SCHEMBL8631978 0.73 HTR1A (0.53) HTR1DHTR1BDRD2HTR1A
SCHEMBL8629596 0.72 HTR1A (0.52) HTR1DHTR1BDRD2HTR1A
Hydrochloric Acid SCHEMBL8632206 0.70 LMNA (0.37) HTR1DHTR1BDRD2HTR1AOPRM1
SCHEMBL8629769 0.70 HTR1A (0.50) HTR1DHTR1BDRD2HTR1A
SCHEMBL8633421 0.70 HTR1A (0.51) HTR1DHTR1BDRD2HTR1A
SCHEMBL8631076 0.68 DRD2 (0.36) DRD2HTR1AOPRM1
SCHEMBL8627569 0.68 HTR1D (0.51) HTR1DHTR1BDRD2HTR1A
SCHEMBL8631158 0.68 DRD2 (0.46) HTR1DHTR1BDRD2

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