SCHEMBL7364843

SCHEMBL7364843

[CH2]C(COc1ccc(-c2ccc(Cl)c(Cl)c2)cc1COCCN1CCCCC1)SC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ HTR2C P28335 8/20 0.40
▸ HTR2A P28223 5/20 0.40
▸ HTR2B P41595 4/20 0.40
▸ ADRA1D P25100 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ ADRA1B P35368 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.38
▸ SLC6A4 P31645 2/20 0.37

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
SCHEMBL7371832 0.81 SIGMAR1 (0.40) SIGMAR1KCNH2KDM4EPOLBHRH3
SCHEMBL7372062 0.78 SIGMAR1 (0.43) SIGMAR1KCNH2HTR2CHTR2AHTR2B
SCHEMBL7364002 0.77 SIGMAR1 (0.42) SIGMAR1KCNH2HTR2CHTR2AHTR2B
SCHEMBL7366605 0.76 SIGMAR1 (0.44) SIGMAR1KCNH2KDM4EPOLBHRH3
SCHEMBL7384215 0.74 SIGMAR1 (0.45) SIGMAR1KCNH2HTR2CKDM4EPOLB
SCHEMBL7385431 0.74 SIGMAR1 (0.42) SIGMAR1KCNH2HTR2CADRA1ADRD3
SCHEMBL7372480 0.73 BACE1 (0.45) KCNH2HRH3
SCHEMBL7366602 0.73 SIGMAR1 (0.38) SIGMAR1KCNH2HTR2CHTR2AHTR2B
SCHEMBL7447534 0.73 HRH3 (0.37) SIGMAR1KCNH2HRH3
SCHEMBL7368910 0.70 LTA4H (0.39) SIGMAR1KCNH2HTR2CKDM4EHRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994859-A1 COMPOUNDS Astra Aktiebolag (publ) (SE) 2000-04-26 — — EP claimed
WO-1999001437-A1 COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 — — WO claimed
EP-0994859-A1 COMPOUNDS Astra Aktiebolag (publ) (SE) 2000-04-26 — — EP disclosed
WO-1999001437-A1 COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 — — WO disclosed
Send feedback