SCHEMBL7537370

SCHEMBL7537370

CCCCN(C(=O)c1nnc(-c2ccc(OC)cc2)o1)C(=O)C1(C(N)=O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MCHR1 Q99705 8/20 0.40
KCNH2 Q12809 7/20 0.40
HTT P42858 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL7528407 0.78 CTSL (0.33) CTSLCTSBCTSSCTSK
SCHEMBL7560363 0.74 CTSS (0.64) CTSLCTSBCTSSCTSKHTT
SCHEMBL7533229 0.74 FAAH (0.41) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL7537367 0.73 CTSK (0.42) CTSLCTSBCTSSCTSKMCHR1
SCHEMBL7530436 0.71 FAAH (0.43) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL30968135 0.68 NPC1 (0.61) HTTNPC1RAB9AKMT2AMAPT
SCHEMBL7560369 0.67 CTSS (0.67) CTSLCTSBCTSSCTSKMCHR1
SCHEMBL6450430 0.65 FAAH (0.47)
SCHEMBL30968155 0.65 SMPD1 (0.61) POLBHTTNPC1RAB9AKMT2A
SCHEMBL8840247 0.64 PTPN1 (0.68) HTTNPC1RAB9AKMT2AMAPT

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
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed