SCHEMBL9258015

SCHEMBL9258015

CN1CCN(C)c2c1ccc(NC1=NCCN1)c2Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 17/20 0.52
ADRA2B P18089 17/20 0.52
ADRA2C P18825 17/20 0.52
ADRA1D P25100 12/20 0.52
ADRA1B P35368 11/20 0.52
ADRA1A P35348 10/20 0.52
KDM4E B2RXH2 1/20 0.51
NR1I2 O75469 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
BLM P54132 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL9259370 0.84 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7032965 0.80 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7757795 0.79 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7758542 0.73 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7759454 0.73 ADRA2A (0.57) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7031229 0.73 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7028843 0.72 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7027332 0.71 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7032958 0.71 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7093734 0.70 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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