SCHEMBL9532848

SCHEMBL9532848

CCOC(CN1CC=C(c2ccccc2)CC1)OCC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
KCNA3 P22001 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL9532716 0.88 PPARG (0.43) PPARGPPARAHTR1AKDM4EALDH1A1
SCHEMBL9532701 0.86 PPARG (0.51) PPARGPPARASIGMAR1HTR1AKDM4E
SCHEMBL10241131 0.78 KDM4E (0.56) KCNA3SIGMAR1HTR1AKDM4ELMNA
SCHEMBL29363627 0.75 SIGMAR1 (0.60) KCNA3SIGMAR1HTR1ADRD4DRD2
SCHEMBL8908157 0.74 KDM4E (0.55) SIGMAR1HTR1AKDM4EALDH1A1MAPT
SCHEMBL14601668 0.73 SIGMAR1 (0.60) KCNA3SIGMAR1HTR1A
SCHEMBL8908153 0.72 KDM4E (0.57) SIGMAR1HTR1AKDM4EALDH1A1MAPT
SCHEMBL1157579 0.72 SIGMAR1 (0.49) KCNA3SIGMAR1HTR1AKDM4EDRD4
SCHEMBL256663 0.72 SIGMAR1 (0.63) KCNA3SIGMAR1HTR1A
SCHEMBL1061316 0.72 SIGMAR1 (0.55) KCNA3SIGMAR1HTR1AGAADRD4

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