SCHEMBL5170946

SCHEMBL5170946

CCOC(=O)c1cncn1Cc1ccc2c(c1)CCN(C(=O)O)CC2CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 5/20 0.39
▸ GABRB2 P47870 5/20 0.39
▸ CYP11B2 P19099 4/20 0.39
▸ CYP11B1 P15538 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ KDM4C Q9H3R0 4/20 0.33
▸ KDM6B O15054 2/20 0.33
▸ SLC18A2 Q05940 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL5171322 0.87 FNTA (0.34) CYP11B2CYP11B1FNTAFNTBTLR7
SCHEMBL5171897 0.82 NOTUM (0.35) CYP1A2LMNACYP2C19SLC18A2KDM4E
SCHEMBL5184067 0.76 GRIN1 (0.34) GABRA1SLC18A2TDP1
SCHEMBL5170176 0.76 SLC18A2 (0.36) ABCB11SLC18A2KDM4EALDH1A1
SCHEMBL5170187 0.75 SLC18A2 (0.36) ABCB11SLC18A2KDM4EALDH1A1
SCHEMBL5170924 0.74 GRIN1 (0.35) ABCB11SLC18A2KDM4EALDH1A1
SCHEMBL5173434 0.74 KDM4C (0.35) ABCB11KDM4CKDM6BSLC18A2KDM4E
SCHEMBL5662423 0.73 ESR2 (0.43) CYP11B2CYP11B1LMNAALDH1A1
SCHEMBL5170766 0.72 SMO (0.34) ABCB11KDM4CSLC18A2KDM4EALDH1A1
SCHEMBL5170769 0.72 SLC18A2 (0.33) ABCB11KDM4CSLC18A2KDM4EALDH1A1

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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