SCHEMBL12184355

SCHEMBL12184355

COC(=O)c1ccc(CN2CC3(CCN(Cc4ccc(C(F)(F)F)cc4)CC3)OC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
CACNA1G O43497 2/20 0.46
OPRL1 P41146 1/20 0.46
POLB P06746 1/20 0.46
SSTR5 P35346 5/20 0.45
HIF1A Q16665 3/20 0.45
EPAS1 Q99814 3/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 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
SCHEMBL12184387 0.94 KCNH2 (0.48) KCNH2CACNA1GOPRL1HIF1AEPAS1
SCHEMBL12184456 0.93 KCNH2 (0.47) KCNH2CACNA1GOPRL1POLBHIF1A
SCHEMBL12184369 0.92 DRD4 (0.53) KCNH2MEN1KMT2A
SCHEMBL12185020 0.91 KCNH2 (0.45) KCNH2CACNA1GOPRL1POLBSSTR5
SCHEMBL12184479 0.90 SSTR5 (0.45) KCNH2CACNA1GOPRL1POLBSSTR5
SCHEMBL12184576 0.89 KCNH2 (0.55) KCNH2CACNA1GOPRL1POLBSSTR5
SCHEMBL12184611 0.89 SSTR5 (0.46) KCNH2OPRL1POLBSSTR5HIF1A
SCHEMBL12185032 0.89 MEN1 (0.51) KCNH2CACNA1GOPRL1SSTR5LMNA
SCHEMBL12184423 0.89 HIF1A (0.46) KCNH2CACNA1GOPRL1POLBSSTR5
SCHEMBL12184865 0.88 KMT2A (0.55) KCNH2CACNA1GOPRL1SSTR5HIF1A

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