SCHEMBL3735768

SCHEMBL3735768

CCOC(=O)n1n[c]cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
GAA P10253 3/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5795696 0.73 ALDH1A1 (0.42) FAAHMGLLGAATSHRALDH1A1
SCHEMBL27620067 0.64 LPO (0.39) FAAHMGLLGAATSHRALDH1A1
SCHEMBL217356 0.63 ALDH1A1 (0.42) FAAHMGLLTSHRALDH1A1POLB
SCHEMBL10985089 0.60 ALDH1A1 (0.72) FAAHMGLLGAATSHRALDH1A1
SCHEMBL1684895 0.60
SCHEMBL22304265 0.59 FAAH (0.66) FAAHMGLLGAAALDH1A1SMN1; SMN2
SCHEMBL23024744 0.58 NOS1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPTHSD17B10
SCHEMBL6077631 0.57
SCHEMBL2223429 0.57 TSHR (0.63) GAATSHRALDH1A1POLBSMN1; SMN2
SCHEMBL1109685 0.57 ALDH1A1 (0.43) GAATSHRALDH1A1HTTLMNA

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
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed