SCHEMBL6570233

SCHEMBL6570233

CC1CCN(CCCOCCCc2ccccc2)CC1.O=S(=O)(O)CCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.62
HRH3 Q9Y5N1 11/20 0.57
ACHE P22303 1/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
USP2 O75604 1/20 0.53
KCNH2 Q12809 2/20 0.48
HTR2A P28223 1/20 0.48
CCR3 P51677 1/20 0.46

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
SCHEMBL491564 0.87 SIGMAR1 (0.76) SIGMAR1HRH3ACHEALDH1A1KDM4E
SCHEMBL6052607 0.82 SIGMAR1 (0.65) SIGMAR1HRH3ACHEALDH1A1KDM4E
SCHEMBL14114294 0.79 LMNA (0.47) HRH3LMNA
SCHEMBL17285905 0.79 SIGMAR1 (0.97) SIGMAR1ACHEALDH1A1USP2CCR3
SCHEMBL14114297 0.79 FFAR1 (0.45) LMNA
SCHEMBL17285907 0.78 SIGMAR1 (0.74) SIGMAR1HRH3ACHEALDH1A1KDM4E
SCHEMBL4444793 0.78 FFAR1 (0.44) LMNA
SCHEMBL4434541 0.78 LMNA (0.46) HRH3LMNA
SCHEMBL13504052 0.78 SIGMAR1 (0.88) SIGMAR1HRH3ACHEALDH1A1USP2
SCHEMBL12741679 0.76 HRH3 (0.61) SIGMAR1HRH3ALDH1A1

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-1428820-A1 Non-imidazole alkylamines as histamine H-3-receptor ligands and their therapeutic applications BIOPROJET (FR) 2004-06-16 EP disclosed