SCHEMBL7364623

SCHEMBL7364623

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.40
DPP7 Q9UHL4 1/20 0.36
TLR2 O60603 2/20 0.34
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTR2C P28335 3/20 0.33
DPP4 P27487 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
SCN4A P35499 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
HTR2A P28223 1/20 0.32
TERT O14746 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
SCHEMBL28913604 0.84 PRCP (0.41) PRCPDPP7TLR2KDM4EHTR2C
SCHEMBL9362980 0.83 PRCP (0.44) PRCPDPP7TLR2NOS2NOS3
SCHEMBL30265157 0.83 PRCP (0.44) PRCPDPP7TLR2NOS2NOS3
SCHEMBL27953007 0.83 PRCP (0.49) PRCPDPP7TLR2KDM4EHTR2C
SCHEMBL542283 0.81 NOS2 (0.39) PRCPDPP7NOS2NOS3NOS1
SCHEMBL7263635 0.80 KMT2A (0.41) PRCPTLR2KDM4EHTR2CDPP4
SCHEMBL5633667 0.80 DPP4 (0.39) PRCPDPP7NOS2NOS3NOS1
SCHEMBL10798003 0.79 PRCP (0.37) PRCPTLR2NOS2NOS3NOS1
SCHEMBL599792 0.79 ALDH1A1 (0.45) PRCPDPP7TLR2NOS2NOS3
SCHEMBL19066799 0.79 PRCP (0.38) PRCPDPP7TLR2NOS2NOS3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4514391-A HYPOTENSIVE AGENTS; ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1985-04-30 US disclosed
EP-0132304-A2 Hydroxy substituted peptide compounds E.R. Squibb & Sons, Inc. (US) 1985-01-30 EP disclosed
US-4432971-A HYPOTENSIVE AGENTS AND ANGIOTENSIN INHIBITION E. R. SQUIBB & SONS, INC. (US) 1984-02-21 US disclosed
EP-0071544-A1 Phosphonamidate compounds E.R. Squibb & Sons, Inc. (US) 1983-02-09 EP disclosed