SCHEMBL9299186

SCHEMBL9299186

O=C(O)[C@@H]1CC(OCC2CCCCC2)CN1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
BACE1 P56817 1/20 0.40
EPHX2 P34913 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9299189 1.00 ARG1 (0.43) ARG1CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL30530817 0.78 BACE1 (0.32) ARG1SLC1A3SLC1A2SLC1A1BACE1
SCHEMBL5510070 0.78 ARG1 (0.50) ARG1CYP1A2ALOX15CYP2C19MEN1
SCHEMBL3450006 0.77 CYP2D6 (0.46) ARG1CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL7339053 0.77 CYP2D6 (0.46) ARG1CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL3450008 0.77 CYP2D6 (0.46) ARG1CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL9297990 0.75 CYP2D6 (0.47) ARG1CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL3450013 0.75 CYP2D6 (0.47) ARG1CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL21896074 0.75 CYP2D6 (0.47) ARG1CYP1A2CYP2D6ALOX15CYP2C19
SCHEMBL31688651 0.75 CYP2D6 (0.47) ARG1CYP1A2CYP2D6ALOX15CYP2C19

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-0618810-A4 BRADYKININ ANTAGONIST PEPTIDES. SCIOS NOVA INC (US) 1994-12-07 EP disclosed
EP-0618810-A1 BRADYKININ ANTAGONIST PEPTIDES SCIOS NOVA INC. (US) 1994-10-12 EP disclosed
WO-1992018156-A1 BRADYKININ ANTAGONIST PEPTIDES NOVA TECHNOLOGY LIMITED PARTNERSHIP (US) 1992-10-29 WO disclosed