SCHEMBL8305232

SCHEMBL8305232

ON(O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.42
CYP2D6 P10635 1/20 0.42
DPP4 P27487 2/20 0.41
TSHR P16473 2/20 0.41
F2 P00734 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 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
SCHEMBL22575939 0.78 KDM4E (0.46) LMNAALOX5KDM4EALDH1A1HTR2A
SCHEMBL5423153 0.75 DPP4 (0.45) SRCCYP2D6DPP4TSHRF2
SCHEMBL6522565 0.74 LMNA (0.44) CYP2D6TSHRLMNAMAPK1KDM4E
SCHEMBL2842918 0.72 CYP2D6 (0.44) SRCCYP2D6LMNAMAPK1ALOX5
SCHEMBL7058363 0.72 LMNA (0.46) CYP2D6LMNAALOX5KDM4EALDH1A1
SCHEMBL108052 0.71
SCHEMBL674996 0.71 CHRNA7 (0.59) LMNAKDM4EALDH1A1HTR2AHRH1
SCHEMBL2309358 0.71 DPP4 (0.41) SRCCYP2D6DPP4TSHRF2
SCHEMBL28072856 0.71 DPP4 (0.41) SRCCYP2D6DPP4TSHRF2
SCHEMBL5424451 0.71 HTR2A (0.50) DPP4TSHRF2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901480-A4 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA (US) 1999-11-24 EP disclosed
EP-0901480-A1 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-03-17 EP disclosed
US-5847169-A Process for preparing oxiranemethanamine derivatives BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-12-08 US disclosed
WO-1997042180-A1 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-11-13 WO disclosed