SCHEMBL5888232

SCHEMBL5888232

CC(NC(=O)C(N)Cc1ccccc1)c1cccc(-c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 2/20 0.50
▸ CTSK P43235 1/20 0.50
▸ OPRK1 P41145 1/20 0.49
▸ CTSV O60911 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ PRCP P42785 1/20 0.48
▸ HDAC8 Q9BY41 5/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CTSA P10619 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CAPN1 P07384 1/20 0.44

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
SCHEMBL5888225 1.00 CTSL (0.50) CTSLCTSSCTSKOPRK1CTSV
SCHEMBL5888229 1.00 CTSL (0.50) CTSLCTSSCTSKOPRK1CTSV
SCHEMBL5888653 0.84 CTSL (0.52) CTSLCTSSCTSKMEN1CTSA
SCHEMBL5888656 0.84 CTSL (0.52) CTSLCTSSCTSKMEN1CTSA
SCHEMBL5888650 0.84 CTSL (0.52) CTSLCTSSCTSKMEN1CTSA
SCHEMBL5888153 0.81 PRCP (0.54) CTSLCTSSCTSKCTSVCTSB
SCHEMBL5888147 0.81 PRCP (0.54) CTSLCTSSCTSKCTSVCTSB
SCHEMBL5888518 0.81 METAP2 (0.49) CTSLCTSSCTSKCTSA
SCHEMBL5888529 0.81 METAP2 (0.49) CTSLCTSSCTSKCTSA
SCHEMBL5888521 0.81 METAP2 (0.49) CTSLCTSSCTSKCTSA

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-7135472-B2 3-Heterocyclic benzylamide derivatives as potassium channel openers BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-14 — — US disclosed
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