SCHEMBL13109490

SCHEMBL13109490

O=C(O)CCN(c1nc(-c2ccc(OCCc3ccccc3)cc2)cs1)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
KMT2A Q03164 8/20 0.46
MEN1 O00255 7/20 0.46
CPB1 P15086 1/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 1/20 0.45
FFAR1 O14842 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PPARD Q03181 1/20 0.42
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL3451760 0.99 NPSR1 (0.51) NPSR1ITGB3ITGA2BKMT2AMEN1
SCHEMBL13109492 0.95 NPSR1 (0.51) NPSR1ITGB3ITGA2BKMT2AMEN1
Hydrochloric Acid SCHEMBL3451495 0.95 NPSR1 (0.50) NPSR1ITGB3ITGA2BKMT2AMEN1
SCHEMBL13109483 0.91 ITGB3 (0.52) NPSR1ITGB3ITGA2BKMT2AMEN1
Hydrochloric Acid SCHEMBL3453071 0.90 ITGB3 (0.51) NPSR1ITGB3ITGA2BKMT2AMEN1
SCHEMBL3452234 0.87 ITGB3 (0.55) NPSR1ITGB3ITGA2BKMT2AMEN1
SCHEMBL13109491 0.84 ITGB3 (0.53) NPSR1ITGB3ITGA2BKMT2AMEN1
Hydrochloric Acid SCHEMBL3451796 0.83 ITGB3 (0.52) NPSR1ITGB3ITGA2BKMT2AMEN1
SCHEMBL13109489 0.82 ITGB3 (0.54) NPSR1ITGB3ITGA2BKMT2AMEN1
Hydrochloric Acid SCHEMBL3452144 0.81 ITGB3 (0.54) NPSR1ITGB3ITGA2BKMT2AMEN1

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed