SCHEMBL8201759

SCHEMBL8201759

[NH]CCOC(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 3/20 0.57
▸ SCN2A Q99250 3/20 0.57
▸ SCN3A Q9NY46 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ HTT P42858 2/20 0.57
▸ CHRM2 P08172 2/20 0.57
▸ ADRA2A P08913 2/20 0.57
▸ CHRM1 P11229 2/20 0.57
▸ SLC6A2 P23975 2/20 0.57
▸ SLC6A4 P31645 2/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ DRD3 P35462 2/20 0.57
▸ SLC6A3 Q01959 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CHRM4 P08173 1/20 0.57
▸ CHRM5 P08912 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ CHRM3 P20309 1/20 0.57

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
SCHEMBL4667564 0.85 SCN1A (0.65) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL4669231 0.81 SLC6A2 (0.61) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL4670218 0.81 SCN1A (0.61) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL10456715 0.77 SCN1A (0.57) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL7288351 0.77 SCN1A (0.57) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL3336564 0.77 SCN1A (0.57) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL2017633 0.77 CHRM2 (0.57) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL1415333 0.77 SLC6A2 (0.62) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL7962886 0.77 SCN1A (0.57) SCN1ASCN2ASCN3ALMNAHTT
SCHEMBL4556683 0.77 SCN1A (0.57) SCN1ASCN2ASCN3ALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 — — EP claimed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 — — US claimed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 — — EP claimed
EP-0672678-B1 Azapeptide derivative FUJIREBIO KK (JP) 2000-10-25 — — EP disclosed
US-5837687-A BRONCHODILATORS, ANTIHISTAMINES AND ANTIINFLAMMATORY AGENTS; ASTHMA; ANTAGONIST OF NEUROKININ RECEPTORS FUJIREBIO INC. (JP) 1998-11-17 — — US disclosed
EP-0672678-A1 Azapeptide derivative FUJIREBIO Inc. (JP) 1995-09-20 — — EP disclosed
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