SCHEMBL8396136

SCHEMBL8396136

CN1C2CCCC1CC(NCc1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
HRH1 P35367 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51
HTR3A P46098 1/20 0.51
TMEM97 Q5BJF2 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
TACR1 P25103 2/20 0.50
FABP6 P51161 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
ACHE P22303 3/20 0.49

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
SCHEMBL7460731 0.94 CARM1 (0.52) TACR1FABP6CARM1PRMT6ACHE
SCHEMBL13585385 0.83 CARM1 (0.56) HTR3EHTR3BCHRM4CHRM5CHRNB2
SCHEMBL8399398 0.82 KMT2A (0.51) HTR3ASIGMAR1MEN1KMT2AALDH1A1
SCHEMBL20794929 0.79 ACHE (0.50) ACHEBACE1BCHEMEN1KMT2A
SCHEMBL20794844 0.78 CHRM1 (0.57) HRH1HTR3ASIGMAR1ACHEBACE1
SCHEMBL14388279 0.78 ACHE (0.49) TACR1FABP6CARM1PRMT6ACHE
SCHEMBL13280563 0.78 GRIN2B (0.59) FABP6CARM1PRMT6ACHEBACE1
SCHEMBL16254267 0.78 GRIN2B (0.59) FABP6CARM1PRMT6ACHEBACE1
SCHEMBL2954218 0.77 GRIN2B (0.69) FABP6CARM1PRMT6ACHEBACE1
SCHEMBL4173336 0.77 GRIN2B (0.69) FABP6CARM1PRMT6ACHEBACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0748321-B1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1999-06-09 EP disclosed
EP-0748321-A1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1996-12-18 EP disclosed
WO-1995023799-A1 PROCESS FOR THE PREPARATION OF AN INDAZOLE-3-CARBOXAMIDE DERIVATIVE SMITHKLINE BEECHAM PLC (GB) 1995-09-08 WO disclosed