SCHEMBL7303597

SCHEMBL7303597

O=C[C@H]1NCC(=S)C1C(=O)[C@H]1NCC(=S)C1C(=O)CCC1CCc2cc([N+](=O)[O-])ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PNMT P11086 12/20 0.41
ADRA2A P08913 7/20 0.38
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36

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
SCHEMBL9049832 0.86 GBA1 (0.36)
SCHEMBL9049068 0.86 GBA1 (0.36)
SCHEMBL9049913 0.81 PREP (0.30)
SCHEMBL9047631 0.81 GBA1 (0.39)
SCHEMBL9049992 0.81 GBA1 (0.39)
SCHEMBL9047368 0.79 GBA1 (0.42)
SCHEMBL9049080 0.78 PREP (0.36)
SCHEMBL8155778 0.78 PREP (0.36)
SCHEMBL9049231 0.76 PREP (0.32)
SCHEMBL7302678 0.74 PNMT (0.47) PNMTADRA2AADRA2BADRA2C

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-0372484-B1 Condensed benzene derivative ZERIA PHARM CO LTD (JP) 1994-10-26 EP disclosed
EP-0372484-A2 Condensed benzene derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 1990-06-13 EP disclosed