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SCHEMBL8672877

SCHEMBL8672877

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.37
▸ FNTB P49356 3/20 0.37
▸ HTR2B P41595 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ BRD2 P25440 1/20 0.31
▸ BRD3 Q15059 1/20 0.31
▸ PGGT1B P53609 1/20 0.31
▸ NOTCH1 P46531 1/20 0.30
▸ RBPJ Q06330 1/20 0.30

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
SCHEMBL8670222 0.93 FNTA (0.42) FNTAFNTBPGGT1B
SCHEMBL8674131 0.92 HTR2B (0.36) FNTAFNTBHTR2BPDE4DLMNA
SCHEMBL8800911 0.86 FNTA (0.45) FNTAFNTBHTR2BPDE4D
SCHEMBL8669842 0.85 CCKBR (0.38) FNTAFNTB
SCHEMBL8676294 0.84 FNTA (0.48) FNTAFNTBPGGT1BNOTCH1
SCHEMBL8671362 0.83 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL8800443 0.80 CTSB (0.38) FNTAFNTBHTR2BPDE4D
SCHEMBL8801168 0.79 FNTA (0.52) FNTAFNTBPGGT1B
SCHEMBL8672880 0.76 HTR2B (0.34) FNTAFNTBHTR2BPDE4DLMNA
SCHEMBL8669346 0.75 HTR2B (0.41) HTR2BPDE4DLMNAOPRK1PDE3A

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