SCHEMBL7325786

SCHEMBL7325786

N#CCc1c[nH]c2ccc(-c3cccc4ccccc34)cc12

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.55
MCL1 Q07820 1/20 0.46
ICMT O60725 1/20 0.42
FEN1 P39748 1/20 0.42
MC5R P33032 1/20 0.41
MC1R Q01726 1/20 0.41
LTA4H P09960 1/20 0.40
PLA2G2A P14555 1/20 0.40
HTR6 P50406 2/20 0.39
MAPT P10636 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
TNF P01375 1/20 0.39
MPO P05164 1/20 0.39
SLC6A4 P31645 1/20 0.39
AHR P35869 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
SCHEMBL6574193 0.82 CSNK2A1 (0.61) CSNK2A1ICMTLTA4HPLA2G2AMPO
SCHEMBL7325860 0.82 LTA4H (0.59) LTA4HPLA2G2AHTR6MAPTMPO
Hydrochloric Acid SCHEMBL7312565 0.81 LTA4H (0.61) LTA4HPLA2G2AHTR6MAPTMPO
SCHEMBL18552205 0.79 TDO2 (0.47) MCL1
SCHEMBL7324142 0.79 HTR1A (0.60) HTR6MPOSLC6A4
SCHEMBL7326928 0.77 CSNK2A1 (0.56) CSNK2A1ICMTGPR84MPOSLC6A4
SCHEMBL149254 0.76 MEN1 (0.62) CSNK2A1HTR6MAPTGPR84MPO
SCHEMBL29521038 0.76 MEN1 (0.62) CSNK2A1HTR6MAPTGPR84MPO
SCHEMBL7359803 0.76 CSNK2A1 (0.55) CSNK2A1ICMTMAPTGPR84MPO
SCHEMBL7311018 0.76 MCL1 (0.43) MCL1MAPT

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 3 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
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 CN disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed