SCHEMBL7326928

SCHEMBL7326928

Cc1cccc(C)c1-c1ccc2[nH]cc(CC#N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.56
ICMT O60725 6/20 0.46
GRIA1 P42261 2/20 0.43
CACNG8 Q8WXS5 2/20 0.43
HTR1D P28221 2/20 0.40
HTR2A P28223 1/20 0.40
HTR1B P28222 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
MPO P05164 1/20 0.39
SLC6A4 P31645 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL7334745 0.81 HTR1D (0.64) HTR1DHTR2AHTR1BHTR1AHTR2C
SCHEMBL6574193 0.80 CSNK2A1 (0.61) CSNK2A1ICMTMPOSLC6A4
SCHEMBL14970013 0.78 CSNK2A1 (0.67) CSNK2A1ICMTHTR1DHTR2AHTR1B
SCHEMBL7327470 0.77 HTR1D (0.62) HTR1DHTR2AHTR1BHTR1AHTR2C
SCHEMBL7325786 0.77 CSNK2A1 (0.55) CSNK2A1ICMTMPOSLC6A4GPR84
SCHEMBL7335081 0.76 CSNK2A1 (0.60) CSNK2A1ICMTHTR2AMPOSLC6A4
SCHEMBL7327065 0.76 CSNK2A1 (0.60) CSNK2A1ICMTHTR2AHTR1AMPO
SCHEMBL7333301 0.76 CSNK2A1 (0.56) CSNK2A1HTR1DHTR2AHTR1BHTR1A
SCHEMBL274224 0.75 CSNK2A1 (0.67) CSNK2A1HTR1DHTR2AHTR1BHTR1A
SCHEMBL7359803 0.75 CSNK2A1 (0.55) CSNK2A1ICMTMPOSLC6A4GPR84

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