SCHEMBL5170240

SCHEMBL5170240

CCNC(=O)c1cnc(Cc2ccc3c(c2)CCN(C(=O)O)CC3C(C)(C)C)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PARP1 P09874 3/20 0.33
▸ MAP3K5 Q99683 3/20 0.32
▸ BDKRB1 P46663 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ CSF1R P07333 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL5171051 0.92 HRH3 (0.35) HRH3PARP1BDKRB1BRD4
SCHEMBL5183239 0.89 GRM2 (0.32) BDKRB1
SCHEMBL5170762 0.88 SMO (0.33) PARP1BDKRB1MAPK1
SCHEMBL5170245 0.86 HRH3 (0.35) HRH3PARP1MAP3K5CHEK1NAMPT
SCHEMBL5183097 0.84 CHEK1 (0.31) BDKRB1CHEK1NAMPTCSF1R
SCHEMBL5170763 0.84 XIAP (0.32) BDKRB1MAPK1
SCHEMBL5169161 0.82 PRMT5 (0.36) HRH3
SCHEMBL5173427 0.81 ACKR3 (0.36) PARP1BDKRB1
SCHEMBL5171933 0.80 HRH3 (0.41) HRH3PARP1CSF1RHDAC3HDAC1
SCHEMBL5170212 0.79 BDKRB1 (0.30) BDKRB1

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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