SCHEMBL4169878

SCHEMBL4169878

O=C(c1ccc(-n2ccc3cc(F)ccc32)cc1)C1CCCN1C1CCNC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.42
▸ FAAH O00519 1/20 0.38
▸ HPGDS O60760 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ TFPI2 P48307 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PLK1 P53350 1/20 0.32
▸ PLK2 Q9NYY3 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL4167473 0.89 MGLL (0.35) MGLLFAAHHPGD
SCHEMBL4013186 0.87 SLC6A4 (0.37) MGLLHTR6MAPT
SCHEMBL1813625 0.87 SLC6A4 (0.37) MGLLHTR6MAPT
SCHEMBL4166486 0.86 KDM2B (0.40) TFPI2MEN1MAPTKMT2A
SCHEMBL4158337 0.84 SMO (0.44) MGLLHPGDS
SCHEMBL4162409 0.81 FFAR4 (0.33) MEN1MAPTRECQLKMT2A
SCHEMBL4164731 0.81 FFAR4 (0.33) MEN1MAPTRECQLKMT2A
SCHEMBL4164927 0.81 P2RX7 (0.33) HTR6MEN1MAPTRECQLKMT2A
SCHEMBL4012517 0.80 GCG (0.35) KCNH2MEN1MAPTRECQLKMT2A
SCHEMBL4158782 0.78 FFAR4 (0.39) MGLLKCNH2MEN1MAPTRECQL

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 claimed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — WO claimed
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