SCHEMBL9033801

SCHEMBL9033801

CC[C@H](C)[C@H](NCc1ccc(C(F)(F)F)cc1)C(=O)NCC1CC(S)CN1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.39
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
EPHX2 P34913 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MC4R P32245 1/20 0.36
TMEM97 Q5BJF2 1/20 0.35
P2RX7 Q99572 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 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
SCHEMBL9033796 0.93 KCNH2 (0.41) KCNH2MMEACECPA1ACE2
SCHEMBL9033723 0.89 F2 (0.39) P2RX7
SCHEMBL9033478 0.87 ANPEP (0.44) ALDH1A1MC4R
SCHEMBL9033715 0.82 KMT2A (0.42) PPARAP2RX7
SCHEMBL9033517 0.79 POLB (0.40)
SCHEMBL9033473 0.79 ANPEP (0.47) MMEALDH1A1MC4R
SCHEMBL9033537 0.77 L3MBTL1 (0.32)
SCHEMBL9032688 0.76 L3MBTL1 (0.33) MMEACECPA1ACE2
SCHEMBL9033512 0.75 POLB (0.46) MC4R
SCHEMBL9033533 0.73 HPGD (0.31)

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