SCHEMBL7066795

SCHEMBL7066795

c1ccc(CC2CCC3C(CCN3CCc3c[nH]cn3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.37
SIGMAR1 Q99720 2/20 0.35
PRMT3 O60678 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT1 Q99873 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
GRIN2B Q13224 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
OPRK1 P41145 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL7071386 0.80 ALDH1A1 (0.35) CCR3SIGMAR1
SCHEMBL7680066 0.76 HRH3 (0.35) CCR3SIGMAR1TMEM97GRIN2BHRH3
SCHEMBL6929183 0.76 HRH3 (0.35) CCR3SIGMAR1TMEM97GRIN2BHRH3
SCHEMBL7068156 0.76 CCR3 (0.50) CCR3SIGMAR1
SCHEMBL7071904 0.76 CCR3 (0.50) CCR3SIGMAR1
SCHEMBL7069134 0.76 CCR3 (0.50) CCR3SIGMAR1
SCHEMBL7068153 0.76 CCR3 (0.50) CCR3SIGMAR1
SCHEMBL6925057 0.76 HRH3 (0.53) HRH3
SCHEMBL6930156 0.76 HRH3 (0.53) HRH3
SCHEMBL6931011 0.72 GRIN2B (0.35) CCR3SIGMAR1GRIN2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242074-A4 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2003-01-29 EP claimed
EP-1242074-A1 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-09-25 EP claimed
US-6369076-B1 ANALGESICS MERCK & CO. INC. 2002-04-09 US claimed
WO-2001032171-A1 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 WO claimed
EP-1242074-A4 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2003-01-29 EP disclosed
EP-1242074-A1 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2002-09-25 EP disclosed
US-6369076-B1 ANALGESICS MERCK & CO. INC. 2002-04-09 US disclosed
WO-2001032171-A1 5-BENZYL-OCTAHYDROINDOLE AND 6-BENZYL-DECAHYDROQUINOLINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2001-05-10 WO disclosed