SCHEMBL12184404

SCHEMBL12184404

O=C1OC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CN1C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.54
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SSTR5 P35346 5/20 0.49
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
OPRL1 P41146 2/20 0.42
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 2/20 0.40
ADRB2 P07550 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TEAD1 P28347 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40

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
SCHEMBL12184635 0.83 GRM2 (0.48) HSD11B1KDM4EALDH1A1SSTR5OPRL1
SCHEMBL12184446 0.77 KMT2A (0.55) KDM4ESSTR5TEAD1HIF1AEPAS1
SCHEMBL12184320 0.77 KMT2A (0.55) KDM4ESSTR5TEAD1HIF1AEPAS1
SCHEMBL12184342 0.77 PRKAB2 (0.47) SSTR5KCNH2HIF1AEPAS1
SCHEMBL12184354 0.76 KDM4E (0.45) KDM4EALDH1A1SSTR5OPRL1POLB
SCHEMBL12184386 0.76 SLC2A1 (0.42) KDM4EALDH1A1SSTR5OPRL1POLB
SCHEMBL12184344 0.75 EPHX2 (0.47) TEAD1
SCHEMBL12184753 0.75 SLC2A1 (0.42) KDM4EALDH1A1SSTR5OPRL1POLB
SCHEMBL12185153 0.75 ADRB2 (0.49) HSD11B1ALDH1A1SSTR5GAAADRB2
SCHEMBL12184883 0.75 BCHE (0.44) SSTR5KCNH2ADRB2HIF1AEPAS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed