SCHEMBL8619009

SCHEMBL8619009

O=C(c1cc2ccccc2s1)C1CCN(Sc2ccccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.47
FAAH O00519 1/20 0.45
HRH4 Q9H3N8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNA7 P36544 4/20 0.40
HTR3A P46098 3/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL8794711 0.83 KDM2B (0.48) KDM2BFAAHHRH4L3MBTL1CHRNA7
SCHEMBL8619492 0.80 ALDH1A1 (0.50) POLB
SCHEMBL8621416 0.78 CYP3A4 (0.47) L3MBTL1CHRNA7POLB
SCHEMBL23079084 0.77 BCL2L1 (0.61) KDM2BHRH4L3MBTL1CHRNA7HTR3A
SCHEMBL31264285 0.75 KDM2B (0.56) KDM2BFAAHHRH4L3MBTL1CHRNA7
SCHEMBL4674322 0.73 KDM2B (0.53) KDM2BHRH4L3MBTL1CHRNA7HTR3A
SCHEMBL4674326 0.72 BCL2L1 (0.54) KDM2BHRH4L3MBTL1CHRNA7HTR3A
SCHEMBL7840921 0.70 HTR2A (0.62) KDM2BFAAHHRH3
SCHEMBL8617445 0.69 GPR119 (0.44) L3MBTL1HRH3POLB
SCHEMBL5505440 0.67 KDM2B (0.67) KDM2BHRH4L3MBTL1CHRNA7HTR3A

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-5767121-A ANTIINFLAMMATORY AND -ARTHRITIC AGENTS; ANTIPYRETICS; ANALGESICS; ADHESION PROTEIN EXPRESSION AND CYCLOXYGENASE AND 5-LIPOXYGENASE INHIBITORS; IMMUNOSUPPRESSANTS AND -MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-16 US disclosed