SCHEMBL28055036

SCHEMBL28055036

COC1(N)CC(OCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.50
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 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
SCHEMBL7948472 0.84 DPP4 (0.58) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL16700989 0.83 OPRM1 (0.49) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL21828099 0.81 OPRM1 (0.48) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL22296669 0.81 OPRM1 (0.48) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL21860316 0.81 OPRM1 (0.48) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL15316801 0.81 DPP4 (0.44) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL22594119 0.80 OPRM1 (0.53) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL2787488 0.80 GRM2 (0.45) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL27917553 0.78 OPRM1 (0.41) DPP4OPRM1OPRL1CTSLCTSB
SCHEMBL18506691 0.78 DPP4 (0.55) DPP4OPRM1OPRL1CTSLCTSB

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
CN-105408327-A Substituted benzoxazoles Bayer Pharma AG 2016-03-16 CN disclosed