SCHEMBL13288149

SCHEMBL13288149

NCC1CC(N)CN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.36
ANPEP P15144 1/20 0.36
GABRR1 P24046 4/20 0.33
GABRR2 P28476 1/20 0.33
BDKRB2 P30411 1/20 0.31
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 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
SCHEMBL23119911 0.84 ATM (0.40) GABRR1GABRR2
SCHEMBL29404146 0.84 ATM (0.40) GABRR1GABRR2
SCHEMBL21111019 0.84 MMP2 (0.36) MMP2ANPEPSLC6A12SLC6A11SLC6A13
SCHEMBL26615005 0.84 MMP2 (0.36) MMP2ANPEPSLC6A12SLC6A11SLC6A13
SCHEMBL376608 0.84 MMP2 (0.36) MMP2ANPEPSLC6A12SLC6A11SLC6A13
SCHEMBL22557213 0.82 MMP2 (0.35) MMP2ANPEP
SCHEMBL22556879 0.82 MMP2 (0.35) MMP2ANPEP
Hydrochloric Acid SCHEMBL21682304 0.82 MMP2 (0.35) MMP2ANPEPSLC6A12SLC6A11SLC6A13
Hydrochloric Acid SCHEMBL15265472 0.82 MMP2 (0.35) MMP2ANPEPSLC6A12SLC6A11SLC6A13
SCHEMBL21110975 0.82 MMP2 (0.35) MMP2ANPEP

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
WO-2010061350-A1 HYDROGENATION OF ESTER, KETONE OR ALDEHYDE GROUPS WITH RUTHENIUM COMPLEXES HAVING A DI-AMINE AND A PHOSPHOROUS-NITROGEN BIDENTATE LIGAND FIRMENICH SA (CH) 2010-06-03 WO disclosed
WO-2010038209-A1 HYDROGENATION OF ESTERS OR CARBONYL GROUPS WITH PHOSPHINO-OXIDE BASED RUTHENIUM COMPLEXES FIRMENICH SA (CH) 2010-04-08 WO disclosed