SCHEMBL7538015

SCHEMBL7538015

CC(=O)N(c1ccc(CCC(=O)C2=CCCO2)cc1)N1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL7536787 0.81 FFAR1 (0.41) KMT2A
SCHEMBL7538929 0.79 AOC3 (0.37) FKBP1AKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7538675 0.78 FKBP1A (0.43) FKBP1AKMT2AMEN1ALDH1A1
SCHEMBL7540020 0.77 FKBP1A (0.55) FKBP1AKMT2AMEN1ALDH1A1
SCHEMBL7544912 0.76 CYP4A11 (0.38) KMT2A
SCHEMBL7536716 0.75 KMT2A (0.33) KMT2A
SCHEMBL7538029 0.74 HRH3 (0.44) KMT2AALDH1A1
SCHEMBL5717885 0.69 SIGMAR1 (0.45) KMT2AALDH1A1
SCHEMBL8930521 0.69 GFER (0.36) KMT2AALDH1A1
Hydrochloric Acid SCHEMBL5849112 0.68 SIGMAR1 (0.44) KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1211249-A1 NOVEL THIAZINE OR PYRAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 EP disclosed