SCHEMBL6604028

SCHEMBL6604028

COc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
POLB P06746 1/20 0.55
PAX8 Q06710 1/20 0.55
HTR2C P28335 1/20 0.54
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MITF O75030 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL6603827 0.90 MEN1 (0.58) MCHR1MEN1KMT2APOLBPAX8
SCHEMBL6604698 0.88 KMT2A (0.56) MCHR1MEN1KMT2APOLBPAX8
SCHEMBL6604033 0.87 KMT2A (0.55) MCHR1MEN1KMT2APOLBPAX8
SCHEMBL6922588 0.82 MCHR1 (0.67) MCHR1MEN1KMT2AHTR2CMAPT
SCHEMBL6602378 0.80 MCHR1 (0.64) MCHR1MEN1KMT2AHTR2CMAPT
SCHEMBL6925443 0.77 MCHR1 (0.81) MCHR1HTR2C
SCHEMBL6603153 0.76 RAB9A (0.53) MCHR1MEN1KMT2AHTR2CMAPT
SCHEMBL6926161 0.76 MCHR1 (0.76) MCHR1HTR2CALDH1A1RAB9A
SCHEMBL6924942 0.76 MCHR1 (0.75) MCHR1HTR2C
SCHEMBL6899093 0.76 MCHR1 (0.93) MCHR1HTR2C

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
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed