SCHEMBL6685697

SCHEMBL6685697

CC(C(=O)NCC(C(=O)NCCC1CNc2ccc(F)cc21)C1CCCCC1)c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.35
GRM7 Q14831 1/20 0.34
IDO1 P14902 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CTSL P07711 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1F P30939 1/20 0.32

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
SCHEMBL6689424 0.96 TRPV1 (0.34) TRPV1GRM7IDO1NQO2MTNR1A
SCHEMBL6687531 0.96 TRPV1 (0.34) TRPV1IDO1NQO2MTNR1AMTNR1B
SCHEMBL6686236 0.95 GRM7 (0.38) TRPV1GRM7
SCHEMBL6688201 0.89 FAAH (0.43) TRPV1
SCHEMBL6686987 0.82 CTSL (0.42) CTSLL3MBTL1
SCHEMBL6689091 0.81 CTSL (0.41) CTSLL3MBTL1
SCHEMBL6689089 0.80 KMT2A (0.42) TRPV1CTSLHTR1AHTR1DHTR1F
SCHEMBL6686227 0.80 CTSS (0.40) TRPV1CTSL
SCHEMBL6690788 0.80 CTSD (0.38)
SCHEMBL5505729 0.78 OPRL1 (0.34) IDO1CTSLHTR1AHTR1DHTR1F

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed