SCHEMBL8877213

SCHEMBL8877213

Cc1nc(Nc2ccccc2)n(C)c(=O)c1CCN1CC2CC(c3ccc(Cl)s3)C2C1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ PTGS2 P35354 2/20 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
SCHEMBL8879255 0.86 P2RX3 (0.37) KAT2BALDH1A1LMNATSHRP2RX3
SCHEMBL8877192 0.84 GRIN2B (0.36) KAT2BALDH1A1LMNAP2RX3PTGS2
SCHEMBL8877896 0.83 KAT2B (0.33) KAT2BALDH1A1LMNATSHRPTGS2
SCHEMBL8876991 0.82 MAPT (0.37) KAT2BALDH1A1LMNATSHRPTGS2
SCHEMBL8804225 0.81 ADRA1A (0.48) TSHR
SCHEMBL8802617 0.77 MAPT (0.46) ALDH1A1LMNATSHR
SCHEMBL9139815 0.75 PTGS2 (0.34) KAT2BPTGS2
SCHEMBL8186216 0.74 SLC6A4 (0.36) KAT2B
SCHEMBL8804674 0.74 CARM1 (0.34) KAT2BALDH1A1
SCHEMBL9139885 0.73 HTR1A (0.33) KAT2BALDH1A1LMNATSHRPTGS2

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-5616705-A N-substituted azabicycloheptane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-04-01 — — US disclosed
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