SCHEMBL8948686

SCHEMBL8948686

N#Cc1ccc(N2CC(CN3CCCC(C(=O)OCc4ccccc4)C3)OC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
GRM2 Q14416 4/20 0.43
HPGD P15428 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
F10 P00742 2/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 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
SCHEMBL8948720 0.91 L3MBTL1 (0.49) L3MBTL1GRM2HPGDSIGMAR1F10
SCHEMBL8948663 0.91 L3MBTL1 (0.49) L3MBTL1GRM2HPGDSIGMAR1F10
SCHEMBL8948589 0.91 L3MBTL1 (0.49) L3MBTL1GRM2HPGDSIGMAR1F10
SCHEMBL8948682 0.88 F10 (0.52) L3MBTL1GRM2F10ALDH1A1SMN1; SMN2
SCHEMBL8948592 0.87 GRM2 (0.42) L3MBTL1GRM2SIGMAR1
SCHEMBL8450620 0.87 GRM2 (0.42) L3MBTL1GRM2SIGMAR1
SCHEMBL8948743 0.86 GRM2 (0.50) GRM2SIGMAR1F10
SCHEMBL8948620 0.85 L3MBTL1 (0.44) L3MBTL1GRM2HPGDSIGMAR1
SCHEMBL8948542 0.85 SIGMAR1 (0.41) L3MBTL1GRM2SIGMAR1
SCHEMBL8948634 0.83 GRM2 (0.47) GRM2SIGMAR1F10

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-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed