SCHEMBL9532716

SCHEMBL9532716

CCOC(CN1CC=C(c2cccc(C)c2)CC1)OCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.43
PPARA Q07869 5/20 0.43
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HTR1A P08908 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL9532848 0.88 PPARG (0.50) PPARGPPARAKDM4EMAPTALDH1A1
SCHEMBL9532701 0.81 PPARG (0.51) PPARGPPARAKDM4EALDH1A1LMNA
SCHEMBL17411300 0.79 HTR1A (0.51) HTR1A
SCHEMBL8264178 0.73 QDPR (0.59)
SCHEMBL6637148 0.73 HTR1A (0.48) HTR1A
SCHEMBL7861680 0.71 TSHR (0.73) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL8352095 0.69 MEN1 (0.59) PPARGPPARAKDM4EMAPTALDH1A1
SCHEMBL6604425 0.68 HTR1A (0.46) PPARGPPARAKDM4EMAPTALDH1A1
SCHEMBL7369144 0.68 KDM4E (0.45) KDM4EMAPTALDH1A1LMNAALOX15
SCHEMBL14141231 0.67 L3MBTL1 (0.48) ALDH1A1ALOX15TSHRHTR1AMEN1

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