SCHEMBL8672880

SCHEMBL8672880

CN[C@](CCSC)(C(=O)OC1CCCCC1)N(C(C)=O)N1C(=O)C(C(=O)C(N)CSSC(C)(C)C)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.34
PDE4D Q08499 1/20 0.34
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
PGGT1B P53609 1/20 0.33
LMNA P02545 1/20 0.31
OPRK1 P41145 1/20 0.31
PDE3A Q14432 1/20 0.31
NOTCH1 P46531 1/20 0.31
RBPJ Q06330 1/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31

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
SCHEMBL8670228 0.93 FNTA (0.35) FNTAFNTBPGGT1B
SCHEMBL8674135 0.88 HTR2B (0.32) HTR2BPDE4D
Tetrazole SCHEMBL8672479 0.86 HTR2B (0.32) HTR2BPDE4DFNTAFNTBLMNA
SCHEMBL8676295 0.85 FNTA (0.38) FNTAFNTBPGGT1BNOTCH1
SCHEMBL8672617 0.84 FNTA (0.41) FNTAFNTBNOTCH1
SCHEMBL8671364 0.83 FNTA (0.36) FNTAFNTBPGGT1B
SCHEMBL8669844 0.81 KCNH2 (0.32)
SCHEMBL8672394 0.79 FNTA (0.39) FNTAFNTBNOTCH1
SCHEMBL8671492 0.78 FNTA (0.38) FNTAFNTBNOTCH1BRD4BRD2
Tetrazole SCHEMBL8667938 0.77 F11 (0.31) HTR2BPDE4D

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
US-5843941-A Ras farnesyl transferase inhibitors GENENTECH, INC. (US) 1998-12-01 US disclosed