SCHEMBL8815643

SCHEMBL8815643

CCCc1nc2c(Br)c(NC3=NCCN3)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 19/20 0.55
ADRA2B P18089 19/20 0.55
ADRA2C P18825 19/20 0.55
ADRA1D P25100 12/20 0.55
ADRA1B P35368 11/20 0.55
ADRA1A P35348 10/20 0.55
KDM4E B2RXH2 1/20 0.55
NR1I2 O75469 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HTR1A P08908 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
BLM P54132 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL7025916 0.91 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL8806547 0.85 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7027488 0.82 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7034981 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7025901 0.79 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7028942 0.77 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7087483 0.77 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL8807723 0.75 KDM4E (0.31) KDM4E
SCHEMBL8806757 0.75 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL8807389 0.74 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1B

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-0775134-A4 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMA CORP (US) 1997-08-13 EP disclosed
EP-0775134-A1 Imidazolin-2-ylaminobenzimidazole derivatives SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-28 EP disclosed
WO-1996004270-A1 NOVEL BENZIMIDAZOLE DERIVATIVES SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-02-15 WO disclosed