SCHEMBL12642623

SCHEMBL12642623

Oc1ccc(CN2CCC(Oc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 9/20 0.61
▸ GAA P10253 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ OPRK1 P41145 1/20 0.58
▸ ACHE P22303 2/20 0.57
▸ BACE1 P56817 2/20 0.57
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ CARM1 Q86X55 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52
▸ DRD2 P14416 3/20 0.52
▸ DRD4 P21917 3/20 0.52
▸ DRD3 P35462 3/20 0.52
▸ BCHE P06276 1/20 0.51

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
SCHEMBL4855546 0.89 HRH3 (0.74) HRH3GAASMN1; SMN2OPRK1ACHE
SCHEMBL28641327 0.88 HRH3 (0.61) HRH3GAASMN1; SMN2OPRK1CARM1
SCHEMBL12642720 0.86 HRH3 (0.53) HRH3GAASMN1; SMN2
SCHEMBL12642606 0.84 LTA4H (0.61) HRH3OPRK1
SCHEMBL5203366 0.82 HRH3 (0.69) HRH3GAASMN1; SMN2OPRK1
SCHEMBL28633821 0.82 HRH3 (0.57) HRH3GAASMN1; SMN2OPRK1CARM1
SCHEMBL13463052 0.81 HRH3 (0.70) HRH3GAASMN1; SMN2OPRK1ACHE
SCHEMBL3022526 0.81 HRH3 (0.71) HRH3GAASMN1; SMN2OPRK1ACHE
SCHEMBL8393625 0.81 HRH3 (0.71) HRH3GAASMN1; SMN2OPRK1ACHE
SCHEMBL10607825 0.80 HRH3 (0.62) HRH3GAASMN1; SMN2OPRK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336125-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase Janssen Pharmaceutica N.V. (BE) 2011-06-22 — — EP disclosed
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