SCHEMBL12184635

SCHEMBL12184635

O=C1OC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CN1CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SSTR5 P35346 4/20 0.44
SLC2A1 P11166 1/20 0.43
OPRL1 P41146 5/20 0.43
HSD11B1 P28845 1/20 0.43
OPRM1 P35372 3/20 0.43
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
OPRK1 P41145 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
FFAR1 O14842 1/20 0.40
PIM1 P11309 1/20 0.39

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
SCHEMBL12184386 0.90 SLC2A1 (0.42) GRM2KDM4EALDH1A1SSTR5SLC2A1
SCHEMBL12184753 0.89 SLC2A1 (0.42) GRM2KDM4EALDH1A1SSTR5SLC2A1
SCHEMBL12184508 0.88 SLC2A1 (0.46) KDM4EALDH1A1SSTR5SLC2A1OPRL1
SCHEMBL12185054 0.88 SLC2A1 (0.46) KDM4EALDH1A1SSTR5SLC2A1OPRL1
SCHEMBL12184424 0.87 ACKR3 (0.48) SSTR5SIGMAR1
SCHEMBL12184554 0.84 KCNH2 (0.43) SSTR5SLC2A1OPRL1SIGMAR1FFAR1
SCHEMBL12184490 0.84 OPRL1 (0.42) SSTR5SLC2A1OPRL1SIGMAR1FFAR1
SCHEMBL12185022 0.84 KCNH2 (0.43) SSTR5SLC2A1OPRL1SIGMAR1FFAR1
SCHEMBL12184960 0.84 DRD4 (0.51) KDM4ESSTR5SIGMAR1
SCHEMBL12184674 0.84 SLC2A1 (0.39) GRM2SSTR5SLC2A1SIGMAR1FFAR1

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