SCHEMBL9531082

SCHEMBL9531082

Clc1ccc(C2=CCN(CCC3OCCO3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.57
HTR1A P08908 2/20 0.52
DRD2 P14416 1/20 0.50
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46

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
SCHEMBL9529720 0.86 SIGMAR1 (0.57) SIGMAR1HTR1ADRD2
SCHEMBL9532157 0.83 SIGMAR1 (0.54) SIGMAR1HTR1APPARGPPARA
SCHEMBL9530704 0.83 SIGMAR1 (0.40) SIGMAR1DRD2
SCHEMBL9533235 0.75 HTR1D (0.44) SIGMAR1HTR1ADRD2
SCHEMBL6626009 0.74 SIGMAR1 (0.65) SIGMAR1HTR1ADRD2
SCHEMBL11938943 0.74 SIGMAR1 (0.65) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL9531074 0.74 SIGMAR1 (0.74) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL4493623 0.73 SIGMAR1 (0.55) SIGMAR1HTR1ADRD2PPARGPPARA
SCHEMBL7108923 0.73 SIGMAR1 (0.58) SIGMAR1HTR1ADRD2
SCHEMBL7289482 0.73 SIGMAR1 (0.67) SIGMAR1HTR1ADRD2

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