SCHEMBL11089581

SCHEMBL11089581

c1ccc(-n2cnnc2C2CCNCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
SLC18A3 Q16572 1/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 3/20 0.38
GABRB2 P47870 3/20 0.38
HRH1 P35367 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HTR2C P28335 2/20 0.37
HTR6 P50406 1/20 0.36
KHK P50053 2/20 0.36
HPGDS O60760 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL21082562 0.89 HTT (0.39)
SCHEMBL26135140 0.85 RAB9A (0.39) HRH1
SCHEMBL16845861 0.85 KCNH2 (0.44) MEN1KMT2AHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL16827934 0.84 KCNH2 (0.43) MEN1KMT2AHTR2CHTR1ASLC6A2
SCHEMBL13117192 0.75 ICMT (0.46) SIGMAR1SLC18A3GABRA1GABRB2HRH1
SCHEMBL21082452 0.72 LGALS3 (0.35)
SCHEMBL25835836 0.72 EP300 (0.40) KMT2A
SCHEMBL2859000 0.72 HTT (0.44) SIGMAR1SLC18A3MEN1KMT2AKHK
SCHEMBL28079922 0.72 SIGMAR1 (0.44) SIGMAR1SLC18A3GABRA1GABRB2HTR3E
SCHEMBL239491 0.71 MEN1 (0.46) SIGMAR1SLC18A3MEN1KMT2AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4481360-A 4H-1,2,4-Triazol-3-yl compounds THE UPJOHN COMPANY (US) 1984-11-06 US disclosed