SCHEMBL21985204

SCHEMBL21985204

C=C(CN)NCCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 5/20 0.40
RNPEP Q9H4A4 4/20 0.40
DNPEP Q9ULA0 4/20 0.40
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
RAB9A P51151 3/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 2/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
LAP3 P28838 4/20 0.32
PKM P14618 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
SCHEMBL23944946 0.79 ANPEP (0.37) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL12061981 0.79 ANPEP (0.37) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL21985062 0.77 ANPEP (0.36) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL14511685 0.76
SCHEMBL20118026 0.76 CNR1 (0.38) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL21985202 0.74 ANPEP (0.34) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL19058821 0.73
SCHEMBL7944266 0.73 ANPEP (0.52) ANPEPRNPEPDNPEPALDH1A1CYP2C19
SCHEMBL15086044 0.71 ANPEP (0.38) ANPEPRNPEPDNPEPALDH1A1CYP1A2
SCHEMBL24717118 0.71

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-3303473-B1 ANTIFOULING POLYMERIC COATING COMPOSITIONS UNIV BRITISH COLUMBIA (CA) 2020-05-13 EP disclosed