SCHEMBL7757795

SCHEMBL7757795

CCN1CCN(CC)c2c1ccc(NC1=NCCN1)c2Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 18/20 0.49
ADRA2B P18089 18/20 0.49
ADRA2C P18825 18/20 0.49
ADRA1D P25100 11/20 0.49
ADRA1B P35368 10/20 0.49
ADRA1A P35348 9/20 0.49
KDM4E B2RXH2 1/20 0.48
NR1I2 O75469 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL7759454 0.85 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7758542 0.85 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL9258015 0.79 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7031229 0.75 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL9259370 0.73 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7032965 0.72 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7031219 0.71 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL6777769 0.70 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7093734 0.70 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7028843 0.69 ADRA2A (0.55) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620732-B1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN INC (US) 2001-04-04 EP disclosed
US-5418234-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1995-05-23 US disclosed
US-5373010-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1994-12-13 US disclosed
EP-0620732-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN, INC. (US) 1994-10-26 EP disclosed
US-5326763-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1994-07-05 US disclosed
EP-0422878-B1 (2-Imidazolin-2-ylamino) tetrahydroquinoxalines and methods for using same ALLERGAN INC (US) 1994-04-27 EP disclosed
US-5300504-A Increasing renal fluid flow ALLERGAN, INC. (US) 1994-04-05 US disclosed
US-5231096-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1993-07-27 US disclosed
WO-1993013771-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN, INC. (US) 1993-07-22 WO disclosed
US-5204347-A Reduction in intraocular pressure; increase renal flow; alteration in the rate of fluid transport in the gastrointestinal tract ALLERGAN, INC. (US) 1993-04-20 US disclosed
US-5077292-A Gastrointestinal disordes; kidney and vision defects ALLERGAN, INC. (US) 1991-12-31 US disclosed
EP-0422878-A1 (2-Imidazolin-2-ylamino) tetrahydroquinoxalines and methods for using same ALLERGAN, INC. (US) 1991-04-17 EP disclosed