SCHEMBL8010707

SCHEMBL8010707

COc1cc(C(=O)Nc2ccc(O)cc2[N+](=O)[O-])cc(OC)c1OC

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 15/20 0.77
ABCC1 P33527 11/20 0.77
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL7917543 0.88 ABCB1 (0.79) ABCB1ABCC1MEN1KMT2AMAPK1
SCHEMBL7919608 0.87 ABCB1 (0.78) ABCB1ABCC1MEN1KMT2AMAPK1
SCHEMBL16179942 0.84 ABCC1 (1.00) ABCB1ABCC1
SCHEMBL16180274 0.80 ABCB1 (1.00) ABCB1ABCC1MAPK1ALDH1A1
SCHEMBL16179746 0.79 ABCB1 (1.00) ABCB1ABCC1
SCHEMBL8024676 0.78 MEN1 (0.77) ABCB1ABCC1MEN1KMT2AMAPK1
SCHEMBL27657641 0.78 HCAR3 (0.74) ABCB1ABCC1MAPK1ALDH1A1
SCHEMBL16180104 0.77 ABCB1 (1.00) ABCB1ABCC1MAPK1ALDH1A1
SCHEMBL8901923 0.77 ABCB1 (0.46) ABCB1ABCC1MEN1KMT2AMAPK1
SCHEMBL20356916 0.76 ABCB1 (0.79) ABCB1ABCC1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 US disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 EP disclosed