SCHEMBL9854966

SCHEMBL9854966

CCCC[C@H](N)c1nnn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.31
CA2 P00918 1/20 0.31

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
Hydrochloric Acid SCHEMBL8089313 0.98 SLC2A1 (0.32) OPRM1CA2
Hydrochloric Acid SCHEMBL8089311 0.98 SLC2A1 (0.32) OPRM1CA2
SCHEMBL19603789 0.88 SCN10A (0.36)
SCHEMBL19003499 0.80 DNM1 (0.30)
SCHEMBL9388195 0.79
SCHEMBL5641783 0.78 ALDH1A1 (0.35)
Hydrochloric Acid SCHEMBL1185372 0.78
SCHEMBL20824834 0.74 OPRM1 (0.32) OPRM1
SCHEMBL16799876 0.74 MAPT (0.34) OPRM1
SCHEMBL8193779 0.74 NOS2 (0.45)

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-0408973-A1 Antiherpes pentapeptides BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-01-23 EP disclosed