SCHEMBL9532157

SCHEMBL9532157

COc1ccc(C2=CCN(CCC3OCCO3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1A P08908 1/20 0.41

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 0.83 SIGMAR1 (0.57) SIGMAR1MEN1KMT2AHTR1DHTR1A
SCHEMBL9531082 0.83 SIGMAR1 (0.57) SIGMAR1PPARGPPARAHTR1A
SCHEMBL9530704 0.82 SIGMAR1 (0.40) SIGMAR1HTR1D
SCHEMBL5539408 0.80 SIGMAR1 (0.62) SIGMAR1PPARGPPARAMEN1KMT2A
SCHEMBL7400519 0.79 HTR1D (0.67) SIGMAR1ALDH1A1HTR1DHTR1BHTR1A
SCHEMBL11823875 0.79 SIGMAR1 (0.60) SIGMAR1PPARGPPARAMEN1KMT2A
SCHEMBL7306525 0.79 SIGMAR1 (0.61) SIGMAR1MEN1KMT2APARP1KDM4E
Hydrochloric Acid SCHEMBL7404128 0.78 HTR1D (0.66) SIGMAR1ALDH1A1HTR1DHTR1BHTR1A
SCHEMBL18936739 0.78 SIGMAR1 (0.66) SIGMAR1PPARGPPARAMEN1KMT2A
SCHEMBL5536604 0.76 SIGMAR1 (0.65) SIGMAR1PPARGPPARAMEN1KMT2A

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