SCHEMBL6570120

SCHEMBL6570120

C#CC(CCCc1ccccc1)N1CCCC(C)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SIGMAR1 Q99720 2/20 0.42
GAA P10253 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX15 P16050 1/20 0.38
PREP P48147 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
SCHEMBL6570100 0.86 SIGMAR1 (0.51) L3MBTL1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5713495 0.77 HPGD (0.45) L3MBTL1HPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL6570156 0.73 SIGMAR1 (0.43) SMN1; SMN2NPC1RAB9ASIGMAR1
SCHEMBL19850993 0.72 L3MBTL1 (0.62) L3MBTL1SIGMAR1
SCHEMBL7979173 0.72 L3MBTL1 (0.62) L3MBTL1SIGMAR1
SCHEMBL6570118 0.70 MAPK1 (0.42) L3MBTL1HPGDSMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL6569758 0.69 HRH3 (0.45) HPGDSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6570124 0.68 L3MBTL1 (0.52) L3MBTL1HPGDSMN1; SMN2ALDH1A1NPC1
SCHEMBL12725 0.68 ACHE (0.66) HPGDSMN1; SMN2SIGMAR1ACHE
SCHEMBL11205656 0.68 ACHE (0.66) HPGDSMN1; SMN2SIGMAR1ACHE

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
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP claimed