SCHEMBL8440207

SCHEMBL8440207

Cc1ccc(CN(C)CCOc2ccnc(-n3c([S+](C)[O-])nc4ccccc43)c2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR6 P50406 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CYBB P04839 1/20 0.31
▸ NCF1 P14598 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPY1R P25929 1/20 0.31
▸ NPY2R P49146 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL8442772 0.95 HTR1D (0.41) HTR1DHTR1BHTR6KDM4EKMT2A
SCHEMBL8442999 0.93 HTR1D (0.35) NPSR1HTR1DHTR1BHTR6KDM4E
SCHEMBL8440546 0.84 NPSR1 (0.38) NPSR1HTR1DHTR1BHTR6KCNH2
SCHEMBL8670315 0.83 MAPT (0.33) KMT2AMAPTMAPK1MEN1NPC1
SCHEMBL8440210 0.82 LMNA (0.39) NPSR1HTR1DHTR1BHTR6KCNH2
SCHEMBL8668979 0.81 MEN1 (0.36) KMT2AMAPTMAPK1MEN1TSHR
SCHEMBL8438828 0.80 KMT2A (0.41) NPSR1KCNH2KDM4EKMT2AMAPT
SCHEMBL8440209 0.80 HTR1D (0.39) NPSR1HTR1DHTR1BHTR6KCNH2
SCHEMBL8443544 0.77 HTR1D (0.36) NPSR1HTR1DHTR1BHTR6KDM4E
SCHEMBL8439249 0.77 KDM4E (0.38) NPSR1HTR1DHTR1BHTR6KDM4E

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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