SCHEMBL27768247

SCHEMBL27768247

CC1CN(C2CCCC2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
CHRNA7 P36544 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 4/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
HRH3 Q9Y5N1 3/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL27544634 0.98 TSHR (0.44) GAATSHRCHRNA7ALDH1A1KDM4E
SCHEMBL25338167 0.93 KDM4E (0.40) GAATSHRCHRNA7ALDH1A1KDM4E
SCHEMBL25338170 0.93 KDM4E (0.40) GAATSHRCHRNA7ALDH1A1KDM4E
SCHEMBL27904221 0.84 GAA (0.40) GAATSHRCHRNA7ALDH1A1KDM4E
SCHEMBL14865202 0.82 GAA (0.39) GAATSHRCHRNA7ALDH1A1KDM4E
SCHEMBL14865208 0.82 GAA (0.39) GAATSHRCHRNA7ALDH1A1KDM4E
SCHEMBL13261798 0.82 GAA (0.39) GAATSHRCHRNA7ALDH1A1KDM4E
SCHEMBL13261925 0.79 MAPT (0.56) GAATSHRCHRNA7ALDH1A1MAPT
SCHEMBL13261797 0.79 MAPT (0.56) GAATSHRCHRNA7ALDH1A1MAPT
SCHEMBL13733872 0.75 KDM4E (0.37) ALDH1A1KDM4EPSEN1PSEN2APH1B

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-101563347-A Vasopressin V1a antagonists VANTIA LTD (GB) 2009-10-21 CN claimed