SCHEMBL4013186

SCHEMBL4013186

O=C(c1ccc(-n2ccc3ccccc32)cc1)[C@H]1CCCN1[C@H]1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ BIRC5 O15392 1/20 0.36
▸ MGLL Q99685 4/20 0.35
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ PRKCZ Q05513 1/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ HTR6 P50406 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
SCHEMBL1813625 1.00 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3BIRC5MGLL
SCHEMBL4169878 0.87 MGLL (0.42) MGLLHTR6MAPT
SCHEMBL4167473 0.87 MGLL (0.35) SLC6A4SLC6A2SLC6A3MGLL
SCHEMBL4158782 0.85 FFAR4 (0.39) SLC6A4SLC6A2SLC6A3MGLLHRH3
SCHEMBL4162409 0.85 FFAR4 (0.33) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL4164731 0.85 FFAR4 (0.33) SLC6A4SLC6A2SLC6A3MAPT
SCHEMBL4164927 0.85 P2RX7 (0.33) HTR6MAPT
SCHEMBL4166486 0.84 KDM2B (0.40) MAPT
SCHEMBL2884746 0.83 HRH3 (0.51) MGLLHTR6HRH3
SCHEMBL1814722 0.82 KHK (0.44) SLC6A4SLC6A2SLC6A3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074088-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — WO disclosed
Send feedback