SCHEMBL8877896

SCHEMBL8877896

Cc1nc(Nc2ccccc2)n(C)c(=O)c1CCN1CC2CC(c3ccsc3)C2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 3/20 0.33
▸ HTR1A P08908 3/20 0.32
▸ DRD2 P14416 3/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PTGS2 P35354 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ ALOX15 P16050 2/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE7A Q13946 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL8876991 0.86 MAPT (0.37) KAT2BHTR1ADRD2HTR2AHTR2C
SCHEMBL8879255 0.86 P2RX3 (0.37) KAT2BADRA1APTGS2MAPTLMNA
SCHEMBL8877192 0.84 GRIN2B (0.36) KAT2BPTGS2MCHR1LMNASMN1; SMN2
SCHEMBL8877213 0.83 KAT2B (0.32) KAT2BPTGS2LMNAALDH1A1TSHR
SCHEMBL8804391 0.78 PKM (0.47) HTR1ADRD2HTR2AHTR2CADRA1A
SCHEMBL8186216 0.77 SLC6A4 (0.36) KAT2BKCNH2CYP2D6
SCHEMBL9139815 0.75 PTGS2 (0.34) KAT2BADRA1APTGS2MAPTMCHR1
SCHEMBL8804858 0.75 CYP2D6 (0.36) KAT2BHTR1ADRD2HTR2AHTR2C
SCHEMBL8877427 0.75 MAPT (0.40) KAT2BHTR1AHTR2CMAPTALOX15
SCHEMBL9138352 0.74 BACE1 (0.37) KAT2BHTR1ADRD2HTR2AHTR2C

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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