SCHEMBL6465743

SCHEMBL6465743

NC(=O)C(CC1CCCCC1)CC(CCc1ccccc1O)c1nc2cc(Cl)ccc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.40
CTSL P07711 3/20 0.40
PTGES O14684 8/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
CCR1 P32246 2/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
BACE1 P56817 1/20 0.33
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL6463648 0.91 CTSS (0.39) CTSSCTSLCCR1LMNAKMT2A
SCHEMBL6466334 0.90 CCR1 (0.39) CTSSCTSLCCR1LMNAKMT2A
SCHEMBL7045920 0.80 CTSL (0.40) CTSSCTSLPTGESLMNAKMT2A
SCHEMBL6462669 0.78 CCR1 (0.35) CTSSCTSLCCR1KMT2A
SCHEMBL6462284 0.74 PTPN1 (0.39) CCR1LMNA
SCHEMBL6467437 0.70 PTPN1 (0.41) PTGES
SCHEMBL7045440 0.69 HPGD (0.41) CTSSLMNAKMT2ABACE1
SCHEMBL6465745 0.65 KMT2A (0.43) CTSSCTSLPTGESLMNAKMT2A
SCHEMBL6473317 0.64 MMP1 (0.40) CTSSCTSLCCR1LMNA
SCHEMBL11361820 0.62 LMNA (0.50) LMNAKMT2ATHRB

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-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed