SCHEMBL21291001

SCHEMBL21291001

C#C[C@@H](O)CNCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
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
SCHEMBL64203 0.72
SCHEMBL7959799 0.72
SCHEMBL23665148 0.71
SCHEMBL12575017 0.71 ANPEP (0.44) ANPEPADH1BADH1CADH1ACYP2D6
SCHEMBL21322340 0.71
SCHEMBL7053000 0.71
SCHEMBL1004544 0.71 ANPEP (0.44) ANPEPADH1BADH1CADH1ACYP2D6
SCHEMBL399646 0.69
Ammonia Solution, Strong SCHEMBL12490708 0.69 ADH1B (0.47) ANPEPADH1BADH1CADH1ACYP2D6
Fluoride SCHEMBL1055864 0.69 ADH1B (0.47) ANPEPADH1BADH1CADH1ACYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
WO-2019204609-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-10-24 WO disclosed
WO-2019160882-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2019-08-22 WO disclosed