SCHEMBL9737609

SCHEMBL9737609

O=C(OC(=O)[C@@H]1CCCN1)C1CCCCN1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
DPP4 P27487 6/20 0.41
DPP8 Q6V1X1 4/20 0.40
DPP9 Q86TI2 4/20 0.40
FAP Q12884 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ELANE P08246 1/20 0.38
PRCP P42785 1/20 0.38
GLI1 P08151 1/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN4A P35499 1/20 0.36

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
SCHEMBL10885146 0.98 NOS2 (0.40) NOS2NOS3NOS1DPP4DPP8
SCHEMBL6859669 0.96 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL995604 0.96 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL146828 0.96 NOS2 (0.46) NOS2NOS3NOS1DPP4DPP8
SCHEMBL31298402 0.89 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28529006 0.86 TSHR (0.36) NOS2NOS3NOS1DPP4DPP8
SCHEMBL30532399 0.86 TSHR (0.36) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28288006 0.85 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
SCHEMBL17503226 0.85 NOS2 (0.42) NOS2NOS3NOS1DPP4DPP8
SCHEMBL28310230 0.84 CYP3A4 (0.35) NOS2NOS3NOS1DPP4DPP8

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
US-5106982-A Cognition activators E. R. SQUIBB & SONS, INC. (US) 1992-04-21 US disclosed