SCHEMBL3355292

SCHEMBL3355292

CN(C)CCc1cn(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.59
CDK2 P24941 7/20 0.50
MAPT P10636 5/20 0.45
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
HTR1A P08908 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1F P30939 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL3351876 0.87 CDK2 (0.48) HTR6CDK2MAPTRXFP1MEN1
SCHEMBL3354579 0.86 MAPT (0.47) HTR6CDK2MAPTHTR2AHTR2C
SCHEMBL9400557 0.83 MAPT (0.51) CDK2MAPTMEN1LMNAKMT2A
SCHEMBL29540778 0.81 MAPT (0.53) CDK2MAPTMEN1LMNAKMT2A
SCHEMBL3355596 0.80 ALDH1A1 (0.55) HTR6CDK2MAPTMEN1LMNA
SCHEMBL3351522 0.79 HTR6 (0.51) HTR6CDK2MEN1LMNAKMT2A
SCHEMBL3355597 0.79 ALDH1A1 (0.57) HTR6CDK2MEN1LMNAKMT2A
SCHEMBL10577625 0.77 CDK2 (0.46) CDK2MAPTMEN1LMNAKMT2A
SCHEMBL3352554 0.77 KMT2A (0.51) HTR6CDK2MAPTMEN1LMNA
SCHEMBL3348930 0.76 HTR6 (0.66) HTR6HTR2AHTR2CHTR2BHTR1A

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
WO-1998047868-A1 HETEROCYCLE-CONTAINING UREA DERIVATIVES AS 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-10-29 WO disclosed