SCHEMBL4166486

SCHEMBL4166486

COc1ccc2c(ccn2-c2ccc(C(=O)C3CCCN3C3CCNC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 17/20 0.40
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ TFPI2 P48307 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4169878 0.86 MGLL (0.42) TFPI2MEN1MAPTKMT2A
SCHEMBL4167473 0.86 MGLL (0.35) KDM2B
SCHEMBL4013186 0.84 SLC6A4 (0.37) MAPT
SCHEMBL1813625 0.84 SLC6A4 (0.37) MAPT
SCHEMBL3844268 0.81 POLB (0.42) KDM2BKDM4EALDH1A1MEN1MAPT
SCHEMBL5128971 0.80 MTNR1A (0.42) KDM2BALDH1A1
SCHEMBL4162409 0.76 FFAR4 (0.33) MEN1MAPTKMT2A
SCHEMBL4158782 0.76 FFAR4 (0.39) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL4164731 0.76 FFAR4 (0.33) MEN1MAPTKMT2A
SCHEMBL4164927 0.76 P2RX7 (0.33) MEN1MAPTKMT2A

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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