SCHEMBL10760331

SCHEMBL10760331

CSCC[C@@H](NCCCC1CCCCC1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
BCHE P06276 2/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
BMP1 P13497 1/20 0.36
NMT2 O60551 1/20 0.36
NMT1 P30419 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NAAA Q02083 1/20 0.35
EPHX1 P07099 1/20 0.35

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
SCHEMBL10622206 0.76 TSHR (0.49) TSHRBCHELMNAFNTAFNTB
SCHEMBL10622211 0.76 TSHR (0.49) TSHRBCHELMNAFNTAFNTB
SCHEMBL971738 0.76 BCHE (0.44) BCHENMT2NMT1SIGMAR1EPHX1
SCHEMBL7645602 0.76 EPHX1 (0.40) TSHRFNTAFNTBPGGT1BEPHX1
SCHEMBL11497983 0.76 EPHX1 (0.40) TSHRFNTAFNTBPGGT1BEPHX1
SCHEMBL9191480 0.75 RNPEP (0.39) TSHRLMNAFNTAFNTBPGGT1B
SCHEMBL9190837 0.75 TSHR (0.38) TSHRLMNAFNTAFNTBPGGT1B
SCHEMBL13360907 0.72 CA12 (0.38) TSHRLMNAFNTAFNTBPGGT1B
SCHEMBL12247962 0.72 CA12 (0.38) TSHRLMNAFNTAFNTBPGGT1B
SCHEMBL10431763 0.71 BCHE (0.44) BCHENMT2NMT1SIGMAR1EPHX1

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-0212550-A2 Substituted dipeptide amides G.D. Searle & Co. (US) 1987-03-04 EP disclosed