SCHEMBL8550244

SCHEMBL8550244

O=C1NCc2cc(C(=O)CN3CCCC(Cc4ccccc4)C3)ccc2N1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
GRIN2B Q13224 4/20 0.47
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
AGTR1 P30556 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
SCHEMBL8547760 0.91 GRIN2B (0.47) ACHEGRIN2BCARM1PRMT6
SCHEMBL8548011 0.86 GRIN2B (0.62) ACHEGRIN2B
SCHEMBL8549221 0.85 GRIN2B (0.57) ACHEGRIN2B
SCHEMBL8545426 0.85 GRIN2B (0.57) ACHEGRIN2B
SCHEMBL8543111 0.84 GRIN2B (0.54) ACHEGRIN2BCARM1PRMT6
SCHEMBL8544989 0.81 GRIN2B (0.59) ACHEGRIN2B
SCHEMBL8548698 0.81 GRIN2B (0.47) GRIN2BCARM1PRMT6ALDH1A1
SCHEMBL8544371 0.81 GRIN2B (0.47) GRIN2BCARM1PRMT6ALDH1A1
SCHEMBL8547693 0.81 GRIN2B (0.47) GRIN2BCARM1PRMT6ALDH1A1
SCHEMBL8542863 0.81 GRIN2B (0.47) GRIN2BCARM1PRMT6

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