SCHEMBL6941270

SCHEMBL6941270

c1ccc(CC2CC3CCC2CN3)cc1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL6946697 0.85 REN (0.39)
SCHEMBL5870697 0.79 SLC6A2 (0.40)
SCHEMBL6748735 0.77 POLB (0.42) GBA1POLB
SCHEMBL9115414 0.74 HSD11B1 (0.42) GBA1
SCHEMBL16241618 0.73 HPGD (0.46) GBA1
SCHEMBL23477686 0.70 GBA1 (0.42) GBA1
SCHEMBL25787275 0.70
SCHEMBL7678641 0.69 GBA1 (0.46) GBA1
SCHEMBL6944306 0.69 GBA1 (0.46) GBA1
SCHEMBL6944308 0.69 GBA1 (0.46) GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248617-A4 2-AZA-BICYCLO 2.2.2]OCTANE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2003-03-05 EP disclosed
US-6489477-B1 NMDA NR2B ANTAGONISTS. ACCORDINGLY, ANOTHER ASPECT OF THE INVENTION IS THE TREATMENT OF PAIN, MIGRAINE, DEPRESSION, ANXIETY, SCHIZOPHRENIA, PARKINSON'S DISEASE, OR STROKE--MALADIES THAT ARE AMENABLE TO AMELIORATION THROUGH MERCK & CO., INC. 2002-12-03 US disclosed
EP-1248617-A1 2-AZA-BICYCLO 2.2.2]OCTANE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-10-16 EP disclosed
WO-2001032177-A1 2-AZA-BICYCLO[2.2.2]OCTANE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 WO disclosed