SCHEMBL5170835

SCHEMBL5170835

CC(C)(C)C1CN(C(=O)O)CCc2cc(Cc3ccc(C#N)nc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 1/20 0.41
▸ GPBAR1 Q8TDU6 3/20 0.35
▸ ERG P11308 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ PRMT5 O14744 3/20 0.33
▸ WDR77 Q9BQA1 3/20 0.33
▸ CHEK1 O14757 2/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ RET P07949 2/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ PANK3 Q9H999 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ AR P10275 1/20 0.31

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
SCHEMBL5170520 0.86 KCNH2 (0.34) GPR52HSD11B1
SCHEMBL5170852 0.85 TP53 (0.37) HSD11B1
SCHEMBL5170839 0.84 GPR52 (0.40) GPR52GPBAR1ERGCYP3A4GRM2
SCHEMBL5171673 0.84 PANK3 (0.37) GPR119PANK3
SCHEMBL5173427 0.81 ACKR3 (0.36) —
SCHEMBL5170923 0.80 HCRTR1 (0.38) HSD11B1
SCHEMBL5170173 0.79 ALDH1A1 (0.34) HSD11B1
SCHEMBL5170763 0.79 XIAP (0.32) —
SCHEMBL5183239 0.78 GRM2 (0.32) GRM2
SCHEMBL5170182 0.78 HCRTR1 (0.32) —

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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