SCHEMBL8948645

SCHEMBL8948645

N#Cc1ccc(N2CC(CN3CCCCC3C(=O)OCc3ccccc3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GRM2 Q14416 6/20 0.43
F10 P00742 2/20 0.40
F2 P00734 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 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
SCHEMBL8948620 0.97 L3MBTL1 (0.44) FKBP1AL3MBTL1GRM2POLBHPGD
SCHEMBL8948802 0.88 F10 (0.51) GRM2F10F2
SCHEMBL8456598 0.87 GRM2 (0.42) L3MBTL1GRM2
SCHEMBL8315766 0.86 GRM2 (0.50) GRM2F10F2
SCHEMBL8948753 0.85 GRM2 (0.51) GRM2F10F2
SCHEMBL8458262 0.84 GRM2 (0.42) L3MBTL1GRM2
SCHEMBL8948663 0.83 L3MBTL1 (0.49) L3MBTL1GRM2F10HPGD
SCHEMBL8948589 0.83 L3MBTL1 (0.49) L3MBTL1GRM2F10HPGD
SCHEMBL8948606 0.83 GRM2 (0.47) GRM2F10F2
SCHEMBL8948720 0.83 L3MBTL1 (0.49) L3MBTL1GRM2F10HPGD

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