SCHEMBL6471940

SCHEMBL6471940

COc1cc(CN(CCc2ccc(Cl)cc2)C(N)=S)ccc1OCCNC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.47
MTNR1B P49286 3/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR1 P21554 1/20 0.45

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
SCHEMBL6517193 0.89 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL6470970 0.89 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL6471647 0.85 MEN1 (0.44) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL6469945 0.84 HTR2A (0.45) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
SCHEMBL6470333 0.84 MEN1 (0.46) ALDH1A1SMN1; SMN2GAAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6512188 0.81 ELANE (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL6470905 0.79 CXCR3 (0.49) ALDH1A1
SCHEMBL6470101 0.78 TAAR1 (0.48)
SCHEMBL6472270 0.76 MEN1 (0.56) MEN1KMT2A
SCHEMBL6470082 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2GAAMEN1KMT2A

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
US-20050031717-A1 Using capsaicin receptors; complexing VIRGINIA COMMONWEALTH UNIVERSITY 2005-02-10 US disclosed
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 WO disclosed