SCHEMBL9033723

SCHEMBL9033723

CC[C@H](C)[C@H](NCc1cccc(C(F)(F)F)c1)C(=O)NCC1CC(S)CN1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.39
P2RX7 Q99572 1/20 0.39
KMT2A Q03164 3/20 0.39
PSMB5 P28074 1/20 0.38
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAPT P10636 1/20 0.37
ADRA2C P18825 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
MLYCD O95822 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL9033715 0.93 KMT2A (0.42) F2P2RX7KMT2APSMB5MEN1
SCHEMBL9033801 0.89 KCNH2 (0.39) P2RX7
SCHEMBL9033478 0.86 ANPEP (0.44) KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9033796 0.82 KCNH2 (0.41) F2P2RX7
SCHEMBL9033517 0.80 POLB (0.40) KMT2AMEN1
SCHEMBL9033473 0.78 ANPEP (0.47) F2KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL9033512 0.77 POLB (0.46) KMT2AMEN1
SCHEMBL9032688 0.73 L3MBTL1 (0.33) KMT2AMEN1
SCHEMBL9033881 0.72 ALDH1A1 (0.43) KMT2AMEN1LMNASMN1; SMN2
SCHEMBL9033847 0.71 TACR1 (0.40) KMT2APSMB5

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