SCHEMBL8440546

SCHEMBL8440546

CSc1nc2ccccc2n1-c1nccc(OCCN(C)Cc2ccc(C)cc2)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ PTGS2 P35354 2/20 0.35
▸ AR P10275 2/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ KCNH2 Q12809 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL8439249 0.93 KDM4E (0.38) NPSR1HTR1DHTR1BPTGS2HTR6
SCHEMBL8443544 0.93 HTR1D (0.36) NPSR1HTR1DHTR1BPTGS2HTR6
SCHEMBL8440207 0.84 NPSR1 (0.36) NPSR1HTR1DHTR1BHTR6KCNH2
SCHEMBL8440210 0.84 LMNA (0.39) NPSR1HTR1DHTR1BHTR6KCNH2
SCHEMBL8441755 0.84 MEN1 (0.39) NPSR1PTGS2ARPDPK1MAPT
SCHEMBL8672721 0.80 PTGS2 (0.40) PTGS2PDPK1MAPTMEN1KMT2A
SCHEMBL8440547 0.79 NPSR1 (0.38) NPSR1HTR1DHTR1BHTR6KCNH2
SCHEMBL8551375 0.79 KDM4E (0.39) PTGS2ARPDPK1KDM4EMAPT
SCHEMBL8443349 0.78 CYP1A2 (0.44) HTR1DHTR1BHTR6KDM4EMEN1
SCHEMBL8442772 0.78 HTR1D (0.41) HTR1DHTR1BHTR6KDM4EMEN1

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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