SCHEMBL11206157

SCHEMBL11206157

Nc1n[nH]c2cccc(CCCN3CCCC3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.49
SLC6A2 P23975 4/20 0.49
HTR1A P08908 1/20 0.45
GAA P10253 1/20 0.44
PDPK1 O15530 1/20 0.44
MAP2K1 Q02750 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
KDR P35968 3/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
HTR6 P50406 1/20 0.40
MPO P05164 1/20 0.40
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
LCK P06239 2/20 0.39
CSF1R P07333 2/20 0.39
FGFR1 P11362 2/20 0.39

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
SCHEMBL11273169 0.79 SLC6A2 (0.50) HTR2ASLC6A2HTR1AHTR2CHTR6
SCHEMBL11205992 0.75 PDPK1 (0.53) GAAPDPK1MAP2K1KDRKIT
SCHEMBL11203656 0.73 GAA (0.44) HTR2ASLC6A2HTR1AGAAPDPK1
SCHEMBL11279156 0.73 ROCK1 (0.37) HTR2ASLC6A2GAAPDPK1MAP2K1
SCHEMBL28900212 0.72 SIGMAR1 (0.51) HTR2ASLC6A2SIGMAR1DRD2SLC6A4
SCHEMBL18926549 0.72 LTA4H (0.59) HTR1ASIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL13264637 0.71 GAA (0.56) GAAPDPK1MAP2K1KDRKIT
SCHEMBL18405305 0.70 SIGMAR1 (0.49) HTR2ASLC6A2SIGMAR1DRD2SLC6A4
SCHEMBL10315568 0.69 SLC6A3 (0.50) HTR2ASLC6A2SIGMAR1MPODRD2
SCHEMBL23123879 0.69 HTR1A (0.46) HTR2ASLC6A2HTR1AHTR2CHTR2B

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
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 EP disclosed