SCHEMBL8206512

SCHEMBL8206512

CCCCN1C=NCC1.[NaH]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL6574015 0.98
Hydrochloric Acid SCHEMBL29989378 0.96 GNAI3 (0.31) CYP1A2CYP2D6
SCHEMBL28612047 0.92 GNAI3 (0.36) CYP1A2CYP2D6
SCHEMBL168017 0.92 GNAI3 (0.34) CYP1A2CYP2D6
SCHEMBL750715 0.90 GNAI3 (0.37) CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2904064 0.90 GNAI3 (0.37) CYP1A2CYP2D6
SCHEMBL9814327 0.90 GNAI3 (0.37) CYP1A2CYP2D6
SCHEMBL11250645 0.90 GNAI3 (0.37) CYP1A2CYP2D6
SCHEMBL11652283 0.90 GNAI3 (0.37) CYP1A2CYP2D6
Bromide SCHEMBL2905446 0.90 ALDH1A1 (0.34) CYP1A2CYP2D6

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-0525032-B1 IMPROVED AQUEOUS DEGREASER COMPOSITIONS BUCKEYE INT (US) 2000-01-19 EP claimed
EP-0525032-B1 IMPROVED AQUEOUS DEGREASER COMPOSITIONS BUCKEYE INT (US) 2000-01-19 EP disclosed