SCHEMBL8440209

SCHEMBL8440209

Cc1ccc(CN(C)CCOc2ccnc(-c3nc4ccccc4n3[S+](C)[O-])c2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 2/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTR6 P50406 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ KDM4E B2RXH2 5/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CYBB P04839 1/20 0.32
▸ NCF1 P14598 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NPY1R P25929 1/20 0.32

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
SCHEMBL8442774 0.95 HTR1D (0.44) HTR1DHTR1BHTR6KDM4EMEN1
SCHEMBL8443000 0.93 HTR1D (0.37) HTR1DHTR1BNPSR1HTR6TP53
SCHEMBL8440547 0.84 NPSR1 (0.38) HTR1DHTR1BNPSR1HTR6KCNH2
SCHEMBL8440211 0.82 HTR6 (0.39) HTR1DHTR1BNPSR1HTR6TP53
SCHEMBL8668983 0.81 MEN1 (0.36) KDM4EMEN1KMT2AMAPTMAPK1
SCHEMBL8439253 0.80 MAPT (0.41) NPSR1KCNH2TP53KDM4EMEN1
SCHEMBL8440207 0.80 NPSR1 (0.36) HTR1DHTR1BNPSR1HTR6KCNH2
SCHEMBL8633727 0.79 MAPT (0.41) NPSR1KCNH2TP53KDM4EMEN1
SCHEMBL7923747 0.79 KDM4E (0.41) KCNH2KDM4EMEN1KMT2AHRH1
SCHEMBL8553022 0.78 KDM4E (0.40) KCNH2TP53KDM4EMEN1KMT2A

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
US-5916904-A ANTIULCER EISAI CO., LTD. (JP) 1999-06-29 — — US disclosed
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