SCHEMBL7330405

SCHEMBL7330405

O=C1C(O)N(O)c2ccccc2N1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.39
SCN9A Q15858 3/20 0.38
OPRL1 P41146 1/20 0.36
LMNA P02545 1/20 0.35
CYP1B1 Q16678 1/20 0.34

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
SCHEMBL7471730 0.77 OPRL1 (0.42) TRPA1SCN9AOPRL1CYP1B1
SCHEMBL4420923 0.77 OPRL1 (0.42) TRPA1SCN9AOPRL1CYP1B1
SCHEMBL7324240 0.76 MEN1 (0.57)
SCHEMBL7331291 0.74 ALDH1A1 (0.50) LMNA
SCHEMBL4995780 0.73 OPRL1 (0.41) TRPA1SCN9AOPRL1CYP1B1
SCHEMBL8025052 0.73 OPRL1 (0.41) TRPA1SCN9AOPRL1CYP1B1
SCHEMBL7329951 0.73 L3MBTL1 (0.49) LMNA
SCHEMBL7323195 0.72 TSHR (0.54) LMNA
SCHEMBL7329003 0.71 LMNA (0.55) LMNACYP1B1
SCHEMBL19410658 0.70 OPRM1 (0.45) TRPA1SCN9AOPRL1LMNA

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
US-5075304-A Nervous system disorders NOVO NORDISK A/S (DK) 1991-12-24 US disclosed
EP-0344943-A1 Imidazoquinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-12-06 EP disclosed