SCHEMBL8300736

SCHEMBL8300736

BrCCC(c1ccccc1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.36
HRH1 P35367 6/20 0.36
SIGMAR1 Q99720 1/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
GRM7 Q14831 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNB1 Q02641 1/20 0.31
CACNA1C Q13936 1/20 0.31

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
SCHEMBL11184514 0.82 TP53 (0.49) HTR2AHRH1SIGMAR1TP53MAPT
Bromide SCHEMBL29026061 0.75 SIGMAR1 (0.44) HTR2AHRH1SIGMAR1MAPTTDP1
SCHEMBL28238546 0.74 LMNA (0.46) HTR2AHRH1SIGMAR1TP53MAPT
SCHEMBL28914293 0.74 NR1H2 (0.43) HTR2AHRH1TP53MAPTTDP1
SCHEMBL7093914 0.74 TAAR1 (0.52) HTR2AHRH1CHRNB2CHRNA4TAAR1
SCHEMBL2172475 0.72 HRH1 (0.56) HTR2AHRH1SIGMAR1TDP1TAAR1
SCHEMBL11354831 0.72 SIGMAR1 (0.38) HTR2AHRH1SIGMAR1MAPTTDP1
SCHEMBL3521371 0.72 SIGMAR1 (0.42) HTR2AHRH1SIGMAR1RAB9A
SCHEMBL30171026 0.70 HRH1 (0.54) HTR2AHRH1SIGMAR1TDP1TAAR1
SCHEMBL7986402 0.70 HRH1 (0.42) HTR2AHRH1SIGMAR1TDP1TAAR1

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-0625514-B1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1999-08-25 EP disclosed
EP-0625514-A1 2-Amino-pyrazin-5-carboxamid derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1994-11-23 EP disclosed