SCHEMBL5183097

SCHEMBL5183097

CC(=O)Nc1cnc(Cc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)cn1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1F P30939 1/20 0.31
▸ ACACB O00763 2/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ XIAP P98170 1/20 0.31
▸ BIRC2 Q13490 1/20 0.31
▸ GRIN2B Q13224 1/20 0.30
▸ BDKRB1 P46663 1/20 0.30
▸ GHSR Q92847 1/20 0.30
▸ NAMPT P43490 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
SCHEMBL5170212 0.88 BDKRB1 (0.30) BDKRB1
SCHEMBL5170763 0.85 XIAP (0.32) XIAPBIRC2BDKRB1GHSR
SCHEMBL5183100 0.85 ACACB (0.32) CHEK1HTR1AHTR1DHTR1FACACB
SCHEMBL5171051 0.85 HRH3 (0.35) XIAPBIRC2BDKRB1
SCHEMBL5183239 0.85 GRM2 (0.32) XIAPBIRC2BDKRB1
SCHEMBL5170240 0.84 HRH3 (0.35) CHEK1CSF1RBDKRB1NAMPT
SCHEMBL5170762 0.84 SMO (0.33) XIAPBIRC2BDKRB1GHSR
SCHEMBL5173427 0.83 ACKR3 (0.36) ACACBBDKRB1
SCHEMBL5169161 0.81 PRMT5 (0.36) GRIN2B
SCHEMBL5172129 0.80 ADRB3 (0.31) —

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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