SCHEMBL6182685

SCHEMBL6182685

Cn1nccc1-c1cc([N+](=O)[O-])ccc1O.Cn1nccc1-c1cc([N+](=O)[O-])ccc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.50
MAPT P10636 3/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LRRK2 Q5S007 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
THRB P10828 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
MAOB P27338 1/20 0.43
PTGER1 P34995 1/20 0.42
ADRA1A P35348 1/20 0.42
PPIA P62937 2/20 0.41
PPIF P30405 1/20 0.41
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL5578247 0.94 MEN1 (0.56) CYP19A1MAPTCYP11B1CYP11B2MEN1
SCHEMBL5578094 0.83 CYP19A1 (0.51) CYP19A1MAPTCYP11B1CYP11B2MEN1
SCHEMBL5578104 0.83 CYP19A1 (0.57) CYP19A1MAPTCYP11B1CYP11B2MEN1
SCHEMBL1166073 0.82 MAPT (0.54) MAPTMEN1KMT2ATHRB
SCHEMBL1166659 0.81 ADRA1A (0.45) CYP19A1MAPTCYP11B1CYP11B2MEN1
SCHEMBL5578056 0.79 MAPT (0.46) MAPTKMT2APTGDR2ADRA1AHTR2A
SCHEMBL30363080 0.78 CYP19A1 (0.46) CYP19A1MAPTCYP11B1CYP11B2MEN1
SCHEMBL14067176 0.77 PDE5A (0.53) CYP19A1MAPTHTR2AHTR2C
SCHEMBL1165882 0.76 HTR2A (0.43) MAPTHTR2AHTR2C
SCHEMBL322593 0.76 LRRK2 (0.51) MEN1KMT2ALRRK2PTGER1ADRA1A

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-1558582-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-08-03 EP disclosed
WO-2005012254-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERTO ARENA PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed