SCHEMBL5171897

SCHEMBL5171897

CCOC(=O)c1cn(Cc2ccc3c(c2)CCN(C(=O)O)CC3CC(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.35
▸ HPGD P15428 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SLC18A2 Q05940 1/20 0.33
▸ SNRNP200 O75643 2/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ RBP4 P02753 1/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ PPARA Q07869 2/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ GHSR Q92847 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL5171657 0.87 USP30 (0.36) SNRNP200USP30RBP4SCD
SCHEMBL5170946 0.82 GABRA1 (0.39) SLC18A2GRM2KDM4EALDH1A1TDP1
SCHEMBL5184067 0.81 GRIN1 (0.34) SLC18A2PPARAPPARDTDP1GHSR
SCHEMBL5170176 0.76 SLC18A2 (0.36) HPGDSMN1; SMN2SLC18A2KDM4EALDH1A1
SCHEMBL5170187 0.75 SLC18A2 (0.36) HPGDSMN1; SMN2SLC18A2KDM4EALDH1A1
SCHEMBL5170766 0.74 SMO (0.34) HPGDSMN1; SMN2SLC18A2KDM4EALDH1A1
SCHEMBL5173084 0.73 ESR2 (0.43) NOTUMHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL5171948 0.73 SLC18A2 (0.33) HPGDSMN1; SMN2SLC18A2KDM4EALDH1A1
SCHEMBL5183241 0.72 HRH3 (0.33) HPGDSLC18A2GRM2KDM4EALDH1A1
SCHEMBL5170924 0.72 GRIN1 (0.35) HPGDSMN1; SMN2SLC18A2KDM4EPPARA

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
Send feedback