SCHEMBL10568995

SCHEMBL10568995

Nc1ccc2ccc(N3CCCC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
HTR1A P08908 2/20 0.48
SLC6A4 P31645 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
MAOA P21397 1/20 0.48
DRD1 P21728 1/20 0.48
ACHE P22303 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
KDR P35968 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL24313570 0.96 HRH3 (0.48) HRH3HTR1ASLC6A4HTTMEN1
SCHEMBL5873568 0.86 MAP4K4 (0.51) HRH3SLC6A4LMNAHTR3AHTR3E
SCHEMBL23273977 0.79 PIM1 (0.48) HRH3HTR1ASLC6A4HTTMEN1
SCHEMBL21154502 0.77 HTR3A (0.71) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL24527530 0.76 TERT (0.80) HRH3HTR1ASLC6A4HTTMEN1
SCHEMBL29604668 0.76 HRH3 (0.71) HRH3HTR1ASLC6A4HTTLMNA
SCHEMBL5664122 0.76 HRH3 (0.71) HRH3HTR1ASLC6A4HTTLMNA
SCHEMBL24313646 0.75 CYP1A2 (0.50) HRH3HTR1ASLC6A4HTTMEN1
SCHEMBL23313056 0.75 HTR3A (0.47) HRH3HTR1ASLC6A4HTTMEN1
SCHEMBL23273738 0.75 HTR3A (0.47) HRH3HTR1ASLC6A4HTTLMNA

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
US-4840956-A TREATING GRAM-POSITIVE BACTERIA WARNER-LAMBERT COMPANY (US) 1989-06-20 US disclosed
US-4735949-A BROAD SPECTRA; GRAMPOSITIVE BACTERIA; BURN INJURIES WARNER-LAMBERT COMPANY (US) 1988-04-05 US disclosed