SCHEMBL18569170

SCHEMBL18569170

C=C(OCC)[C@@H]1CCCN1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
PRCP P42785 2/20 0.38
DPP7 Q9UHL4 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 3/20 0.33
SLC6A4 P31645 2/20 0.33
SCN4A P35499 1/20 0.33
TLR2 O60603 2/20 0.33
DPP4 P27487 4/20 0.32
DPP8 Q6V1X1 1/20 0.32

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
SCHEMBL16526501 0.94 SLC6A2 (0.38) NOS2NOS3NOS1PRCPDPP7
SCHEMBL31351975 0.79 PRCP (0.44) NOS2NOS3NOS1PRCPDPP7
SCHEMBL27677511 0.78 PRCP (0.46) NOS2NOS3NOS1PRCPDPP7
SCHEMBL24620429 0.78
SCHEMBL3330660 0.77 PRCP (0.45) NOS2NOS3NOS1PRCPDPP7
SCHEMBL7306276 0.77 NOS2 (0.39) NOS2NOS3NOS1PRCPDPP7
SCHEMBL115996 0.77 PRCP (0.45) NOS2NOS3NOS1PRCPDPP7
SCHEMBL10829027 0.77 PRCP (0.45) NOS2NOS3NOS1PRCPDPP7
SCHEMBL133135 0.77 PRCP (0.45) NOS2NOS3NOS1PRCPDPP7
Hydrochloric Acid SCHEMBL1073479 0.76 PRCP (0.44) NOS2NOS3NOS1PRCPDPP7

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-3016942-B1 FORMATION OF CHIRAL 4-CHROMANONES USING CHIRAL PYRROLIDINES DSM IP ASSETS BV (NL) 2017-03-01 EP disclosed