SCHEMBL6762191

SCHEMBL6762191

CN1CCN(c2ccc(C(=O)C(NC(=O)OC(C)(C)C)C(C)(C)C)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6762193 1.00 CTSK (0.46) CTSKNPC1RAB9ALMNATP53
SCHEMBL6760302 0.88 MAPT (0.49) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL6760301 0.88 MAPT (0.49) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL6755720 0.85 RAB9A (0.53) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6755717 0.85 RAB9A (0.53) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL6652881 0.83 MAPT (0.52) LMNATP53SMN1; SMN2HDAC3HDAC8
SCHEMBL6652883 0.83 MAPT (0.52) LMNATP53SMN1; SMN2HDAC3HDAC8
SCHEMBL6683480 0.80 CA1 (0.46) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL6683479 0.80 CA1 (0.46) LMNASMN1; SMN2POLBMEN1KMT2A
SCHEMBL21378571 0.79 HDAC3 (0.43) CTSKNPC1RAB9ALMNATP53

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-6716878-B1 BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES VERNALIS (OXFORD) LIMITED (GB) 2004-04-06 US disclosed