SCHEMBL7309458

SCHEMBL7309458

CSC(CCc1nnnn1Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GHSR Q92847 1/20 0.42
MAPT P10636 2/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ATM Q13315 2/20 0.40
HPGD P15428 2/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL24602759 0.79 GHSR (0.45) GHSRMAPTCTSSCTSKATM
SCHEMBL29100691 0.79 GHSR (0.45) GHSRMAPTCTSSCTSKATM
SCHEMBL7309451 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL7309462 0.77 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL7279580 0.72 CTSK (0.59) CTSSCTSKATMPPARGPPARA
SCHEMBL9477798 0.71 HDAC1 (0.52) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL10971753 0.70 NAAA (0.46) ALDH1A1MEN1KMT2ATSHRGHSR
SCHEMBL5592641 0.68 HSD11B1 (0.60) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL1716332 0.67 KMT2A (0.46) ALDH1A1KMT2ATSHRGHSRHDAC1
SCHEMBL4407027 0.67 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRLMNA

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
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed