SCHEMBL6570161

SCHEMBL6570161

CC1CCN(CC#CCCCc2ccc(Cl)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
SIGMAR1 Q99720 7/20 0.46
HRH3 Q9Y5N1 5/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 2/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6570105 0.86 SIGMAR1 (0.61) MAOBSIGMAR1HRH3NPC1RAB9A
SCHEMBL6569763 0.83 HRH3 (0.54) MAOBSIGMAR1HRH3
SCHEMBL17828185 0.76 HRH3 (0.75) SIGMAR1HRH3ACHEL3MBTL1
SCHEMBL156202 0.74 HRH3 (0.76) SIGMAR1HRH3RAB9AACHE
SCHEMBL491791 0.74 HRH3 (0.72) SIGMAR1HRH3
SCHEMBL24429026 0.69 KDM4E (0.40) HRH3ACHE
SCHEMBL5426586 0.69 MCHR1 (0.74) HRH3RAB9AACHE
SCHEMBL6570156 0.68 SIGMAR1 (0.43) MAOBSIGMAR1HRH3NPC1RAB9A
SCHEMBL20232771 0.68 HRH3 (0.61) SIGMAR1HRH3ACHE
SCHEMBL8821505 0.65 SPHK1 (0.60) MAOBSIGMAR1HRH3L3MBTL1

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