SCHEMBL24972209

SCHEMBL24972209

CN[C@@H](C)[C@H](C)NCC(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL172672 0.75 ADH1B (0.35) ADH1BADH1CADH1ACYP2D6CYP2C19
SCHEMBL19910925 0.75 ADH1B (0.35) ADH1BADH1CADH1ACYP2D6CYP2C19
SCHEMBL18510071 0.73
SCHEMBL19494202 0.73
SCHEMBL10005573 0.73
SCHEMBL24435669 0.73
Hydrochloric Acid SCHEMBL19895466 0.73 ADH1B (0.33) ADH1BADH1CADH1ACYP2D6CYP2C19
SCHEMBL24385122 0.73
SCHEMBL4648270 0.73
Hydrochloric Acid SCHEMBL19895467 0.73 ADH1B (0.33) ADH1BADH1CADH1ACYP2D6CYP2C19

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
US-11559428-B2 Apparatus and methods for ocular injection CLEARSIDE BIOMEDICAL, INC. (US) 2023-01-24 US disclosed