SCHEMBL6684345

SCHEMBL6684345

NCC1CCC(CNC(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
PRKCQ Q04759 1/20 0.39
NPY1R P25929 1/20 0.38
NPY5R Q15761 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F11 P03951 7/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL19598444 0.76 NPC1 (0.43) SIGMAR1NPY1RNPY5RNPC1RAB9A
SCHEMBL11599527 0.67 SIGMAR1 (0.42) SIGMAR1PRSS1NPY1RNPY5RSLC6A4
SCHEMBL493565 0.66 CNR1 (0.40) F10PRSS1PRKCQSLC6A4NPC1
SCHEMBL8476760 0.64 CYP2D6 (0.53) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5455397 0.64 FFAR2 (0.38) F10PRSS1SLC6A4NPC1RAB9A
SCHEMBL14606888 0.64 GBA1 (0.59) NPY5RMEN1KMT2A
SCHEMBL14606884 0.64 GBA1 (0.59) NPY5RMEN1KMT2A
SCHEMBL493821 0.64 BCL2A1 (0.40) F10PRSS1SLC6A4SLC6A2SLC6A3
SCHEMBL3637783 0.63 KMT2A (0.64) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL20625942 0.63 HDAC6 (0.49) NPY5RMEN1KMT2A

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-2004073709-A1 ANTIMICROBIAL AGENTS PROLYSIS LIMITED (GB) 2004-09-02 WO disclosed