SCHEMBL17376353

SCHEMBL17376353

COC1=C(C2=CCNCC2)N(C(=O)OC(C)(C)C)CC=C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.34
BRPF1 P55201 1/20 0.31

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
SCHEMBL21045666 0.74 QDPR (0.35) QDPRBRPF1
SCHEMBL17376304 0.71 PLAT (0.36)
SCHEMBL25385174 0.70 NR1H2 (0.32)
SCHEMBL27233080 0.70 NAMPT (0.33) QDPR
SCHEMBL3666130 0.67 ALDH1A1 (0.33)
SCHEMBL21045793 0.67 NR1H2 (0.32) QDPR
SCHEMBL15057744 0.66 GABRP (0.31)
SCHEMBL18398429 0.65 ADORA1 (0.31)
SCHEMBL5492828 0.65 PREP (0.36)
SCHEMBL3664878 0.64 HTR2C (0.35) QDPR

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
EP-3160961-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2017-05-03 EP disclosed
WO-2015200534-A2 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-12-30 WO disclosed