SCHEMBL8948620

SCHEMBL8948620

N#Cc1ccc(N2CC(CN3CCCC3C(=O)OCc3ccccc3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
GRM2 Q14416 7/20 0.43
FKBP1A P62942 6/20 0.41
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
POLB P06746 1/20 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
SCHEMBL8948645 0.97 FKBP1A (0.44) L3MBTL1GRM2FKBP1AHPGDPOLB
SCHEMBL8948753 0.88 GRM2 (0.51) GRM2
SCHEMBL8458262 0.86 GRM2 (0.42) L3MBTL1GRM2SIGMAR1
SCHEMBL8948686 0.85 L3MBTL1 (0.47) L3MBTL1GRM2HPGDSIGMAR1
SCHEMBL8316229 0.85 GRM2 (0.51) GRM2SIGMAR1
SCHEMBL8948802 0.85 F10 (0.51) GRM2
SCHEMBL8948589 0.84 L3MBTL1 (0.49) L3MBTL1GRM2HPGDSIGMAR1
SCHEMBL8948663 0.84 L3MBTL1 (0.49) L3MBTL1GRM2HPGDSIGMAR1
SCHEMBL8948720 0.84 L3MBTL1 (0.49) L3MBTL1GRM2HPGDSIGMAR1
SCHEMBL8456598 0.84 GRM2 (0.42) L3MBTL1GRM2SIGMAR1

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