SCHEMBL7327065

SCHEMBL7327065

N#CCc1c[nH]c2ccc(-c3ccc(F)cc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.60
MPO P05164 10/20 0.55
SLC6A4 P31645 3/20 0.55
GPR84 Q9NQS5 2/20 0.51
HTR2A P28223 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ICMT O60725 1/20 0.46
HTR1A P08908 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL2724522 0.88 MPO (0.68) CSNK2A1MPOSLC6A4GPR84HTR2A
SCHEMBL6574193 0.87 CSNK2A1 (0.61) CSNK2A1MPOSLC6A4ICMTDRD2
SCHEMBL7335081 0.85 CSNK2A1 (0.60) CSNK2A1MPOSLC6A4GPR84HTR2A
SCHEMBL4945471 0.85 CSNK2A1 (0.56) CSNK2A1MPOSLC6A4GPR84ICMT
SCHEMBL7333301 0.82 CSNK2A1 (0.56) CSNK2A1SLC6A4GPR84HTR2ATRPM8
SCHEMBL29352833 0.78 GPR84 (0.67) CSNK2A1MPOSLC6A4GPR84HTR2A
SCHEMBL1242939 0.78 GPR84 (0.67) CSNK2A1MPOSLC6A4GPR84HTR2A
SCHEMBL2537905 0.78 MPO (0.77) MPOSLC6A4HTR2ATRPM8HTR1A
SCHEMBL7326928 0.76 CSNK2A1 (0.56) CSNK2A1MPOSLC6A4GPR84HTR2A
SCHEMBL2004780 0.75 CSNK2A1 (0.67) CSNK2A1SLC6A4HTR2AHTR1AKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed