SCHEMBL8547760

SCHEMBL8547760

O=C1NCc2cc(C(=O)CCN3CCC[C@H](Cc4ccccc4)C3)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.47
ACHE P22303 8/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL8550244 0.91 ACHE (0.47) GRIN2BACHECARM1PRMT6
SCHEMBL8544989 0.89 GRIN2B (0.59) GRIN2BACHE
SCHEMBL8871868 0.88 GRIN2B (0.54) GRIN2BACHECARM1PRMT6
SCHEMBL8549788 0.88 GRIN2B (0.54) GRIN2BACHECARM1PRMT6
SCHEMBL8547747 0.86 GRIN2B (0.54) GRIN2BACHECARM1PRMT6
SCHEMBL8547953 0.86 GRIN2B (0.54) GRIN2BACHECARM1PRMT6
SCHEMBL8547562 0.86 ACHE (0.49) GRIN2BACHECARM1PRMT6
SCHEMBL8542863 0.83 GRIN2B (0.47) GRIN2BCARM1PRMT6
SCHEMBL8547856 0.81 ALDH1A1 (0.55) GRIN2BACHE
SCHEMBL8546768 0.80 GRIN2B (0.61) GRIN2BACHE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 EP disclosed
US-5698553-A Benzylpiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-16 US disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed