SCHEMBL8999780

SCHEMBL8999780

O=C(O)C(CCCCC(F)(F)F)n1cnc([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL8999783 0.99 AGTR1 (0.35) L3MBTL1AGTR1AGTR2TAAR1HTR2A
SCHEMBL8999603 0.83 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8999634 0.83 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL27333123 0.80 ALDH1A1 (0.31) L3MBTL1ALDH1A1
SCHEMBL27342191 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL8999710 0.75 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8999803 0.73 MCL1 (0.33)
SCHEMBL8999809 0.73 MCL1 (0.33)
SCHEMBL8999761 0.73 MCL1 (0.33)
SCHEMBL8999756 0.73 MCL1 (0.33)

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
US-5484780-A CARDIOVASCULAR, HYPOTENSIVE ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed
US-5401851-A Preparation of proline derivatives ELI LILLY AND COMPANY (US) 1995-03-28 US disclosed
EP-0573271-A1 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-08 EP disclosed