SCHEMBL9529720

SCHEMBL9529720

Fc1ccc(C2=CCN(CCC3OCCO3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.57
DRD2 P14416 1/20 0.50
HTR1D P28221 1/20 0.49
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR1A P08908 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL9531082 0.86 SIGMAR1 (0.57) SIGMAR1DRD2HTR1A
SCHEMBL9532157 0.83 SIGMAR1 (0.54) SIGMAR1HTR1DMEN1KMT2AHTR1A
SCHEMBL9530704 0.83 SIGMAR1 (0.40) SIGMAR1DRD2HTR1D
SCHEMBL11833145 0.80 SIGMAR1 (0.66) SIGMAR1DRD2MAPK1MEN1KMT2A
SCHEMBL8010714 0.79 SIGMAR1 (0.72) SIGMAR1DRD2MAPK1MEN1KMT2A
SCHEMBL11835654 0.77 SIGMAR1 (0.62) SIGMAR1DRD2MAPK1MEN1KMT2A
SCHEMBL19944415 0.77 SIGMAR1 (0.62) SIGMAR1DRD2MAPK1MEN1KMT2A
SCHEMBL7978448 0.76 SIGMAR1 (0.61) SIGMAR1DRD2MAPK1MEN1KMT2A
SCHEMBL19944762 0.76 SIGMAR1 (0.64) SIGMAR1DRD2MAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL11833132 0.76 SIGMAR1 (0.60) SIGMAR1DRD2MAPK1MEN1KMT2A

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
EP-0556342-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYOGYSZERKUTATO INTEZET K.V. (HU) 1993-08-25 EP disclosed
WO-1992007854-A1 NEW 1-AZABICYCLOALKANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME GYÓGYSZERKUTATÓ INTÉZET KV. (HU) 1992-05-14 WO disclosed