SCHEMBL5168811

SCHEMBL5168811

Cc1nc(OCc2ccc3c(c2)CCNCC3)cnc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 10/20 0.40
▸ CYP2D6 P10635 4/20 0.40
▸ RXRB P28702 1/20 0.37
▸ SYK P43405 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ INCENP Q9NQS7 2/20 0.35
▸ CFD P00746 1/20 0.35
▸ F11 P03951 1/20 0.35
▸ PLAU P00749 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34

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
SCHEMBL5181701 0.84 NNMT (0.46) MLNRCYP2D6RXRBSYKAURKB
SCHEMBL3077260 0.83 JAK2 (0.44) MLNRCYP2D6
SCHEMBL5168814 0.73 HRH3 (0.47) MLNRCYP2D6RXRBSYKAURKB
SCHEMBL5660251 0.71 SYK (0.48) MLNRCYP2D6RXRBSYKAURKB
SCHEMBL5663502 0.69 HRH3 (0.46) MLNRCYP2D6RXRBSYKAURKB
SCHEMBL3097058 0.67 NNMT (0.49) MLNRCYP2D6
SCHEMBL15995001 0.66 NNMT (0.53) —
SCHEMBL15922514 0.65 BACE1 (0.37) SYKDGAT1
SCHEMBL15995242 0.65 L3MBTL1 (0.42) DGAT1
SCHEMBL5327478 0.63 APP (0.52) MLNRRXRB

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-1778643-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-05-02 — — EP disclosed
WO-2006018260-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H 3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-02-23 — — WO disclosed
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