SCHEMBL4744923

SCHEMBL4744923

CCNC(=O)[CH]N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
RECQL P46063 2/20 0.40
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5112831 0.84 KMT2A (0.45) HTTKMT2ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4711518 0.78 KMT2A (0.44) HTTKMT2AMEN1
SCHEMBL8130253 0.74 HTT (0.50) HTTRECQLKMT2ATSHRSMN1; SMN2
SCHEMBL20927103 0.73 HTT (0.49) HTTKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL968488 0.71 HTT (1.00) HTTRECQLKMT2ATSHRSMN1; SMN2
SCHEMBL27638780 0.70 TSHR (0.55) RECQLKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL8429732 0.68 SMN1; SMN2 (0.72) HTTKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL27611556 0.67 KDM4E (0.45) HTTRECQLKMT2ATSHRSMN1; SMN2
SCHEMBL23768210 0.67 HTT (0.42) HTTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL7976882 0.67 HTT (0.55) HTTRECQLKMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO claimed
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 WO disclosed