SCHEMBL8022622

SCHEMBL8022622

COc1ccccc1NC1=NCCN1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.65
ADRA2B P18089 4/20 0.65
ADRA2C P18825 4/20 0.65
ADRA1A P35348 3/20 0.65
ADRA1D P25100 2/20 0.65
ADRA1B P35368 2/20 0.65
PTGIR P43119 4/20 0.59
HTR7 P34969 1/20 0.55
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 1/20 0.50
HTR1D P28221 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL11162465 0.88 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11156792 0.85 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11160689 0.82 ADRA2A (0.71) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11161124 0.82 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11163652 0.80 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11162759 0.80 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11166358 0.80 ADRA2A (0.56) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL21497072 0.80 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL8020019 0.79 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL11158573 0.79 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1D

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-0971900-A1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPY SANOFI-SYNTHELABO (FR) 2000-01-19 EP disclosed
WO-1998042679-A1 BENZENESULPHONAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF IN THERAPY SANOFI-SYNTHELABO (FR) 1998-10-01 WO disclosed
US-3931216-A Process for the manufacture of 2-arylamino-2-imidazoline derivatives and their salts BOEHRINGER INGELHEIM GMBH (DT) 1976-01-06 US disclosed