SCHEMBL7758519

SCHEMBL7758519

CC1(C)Nc2c(ccc(NC3=NCCN3)c2Br)NC1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 17/20 0.60
ADRA2B P18089 16/20 0.60
ADRA2C P18825 16/20 0.60
ADRA1D P25100 13/20 0.60
ADRA1B P35368 12/20 0.60
ADRA1A P35348 12/20 0.60
KDM4E B2RXH2 1/20 0.47
NR1I2 O75469 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR1A P08908 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
BLM P54132 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL7754567 0.91 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7759463 0.82 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL9358511 0.81 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7758549 0.80 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7759458 0.76 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL9359095 0.75 ADRA2A (0.59) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7787375 0.73 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7754560 0.71 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7757805 0.71 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7032965 0.68 ADRA2A (0.59) 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 10 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
EP-0549594-B1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME ALLERGAN INC (US) 1995-02-01 EP 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
US-5231096-A Methods for using (2-imidazolin-2-ylamino) quinoxaline derivatives ALLERGAN, INC. (US) 1993-07-27 US disclosed
EP-0549594-A1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME. ALLERGAN INC (US) 1993-07-07 EP disclosed
EP-0549594-A4 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME. ALLERGAN INC (US) 1993-04-16 EP disclosed
US-5198442-A (2-imidazolin-2-ylamino) quinoxaline derivatives and methods for using same ALLERGAN, INC. (US) 1993-03-30 US disclosed
WO-1992002515-A1 (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES AND METHODS FOR USING SAME ALLERGAN, INC. (US) 1992-02-20 WO disclosed