SCHEMBL9033903

SCHEMBL9033903

CC[C@H](C)[C@@H](C(=O)NCC1CC(S)CN1)N(Cc1ccccc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
POLB P06746 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34
ANPEP P15144 1/20 0.33
MAOA P21397 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MASP2 O00187 1/20 0.32
GHSR Q92847 1/20 0.32
MAN2A1 Q16706 1/20 0.32
MAN1B1 Q9UKM7 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
SCHEMBL9050945 0.90 MEN1 (0.36) MEN1KMT2APOLBMMEACE
SCHEMBL9033517 0.81 POLB (0.40) MEN1KMT2APOLBANPEP
SCHEMBL9033478 0.79 ANPEP (0.44) MEN1KMT2AANPEPMASP2
SCHEMBL9050939 0.76 GHSR (0.39) MEN1KMT2AANPEPGHSRMAN2A1
SCHEMBL9033793 0.76
SCHEMBL9033512 0.75 POLB (0.46) MEN1KMT2APOLBANPEP
SCHEMBL9033473 0.75 ANPEP (0.47) MEN1KMT2AMMEANPEPMASP2
SCHEMBL9033444 0.73 MAOA (0.41) MEN1KMT2AANPEPMAOA
SCHEMBL9033807 0.71 DPP4 (0.35) MMEACECPA1ACE2
SCHEMBL9032688 0.70 L3MBTL1 (0.33) MEN1KMT2AMMEACECPA1

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-0696593-A2 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1996-02-14 EP disclosed