SCHEMBL8301749

SCHEMBL8301749

CCc1c(N)ccc2c1NC(=O)CO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.49
NR3C2 P08235 2/20 0.42
MMP12 P39900 1/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 2/20 0.36
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
GAA P10253 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GRM5 P41594 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8306817 0.88 PARP1 (0.43) PARP1NR3C2MMP12MTNR1AMTNR1B
SCHEMBL8301771 0.81 NR3C2 (0.37) PARP1NR3C2MMP12MTNR1AMTNR1B
SCHEMBL6432532 0.81 NR3C2 (0.56) PARP1NR3C2MMP12MTNR1AMTNR1B
SCHEMBL8302723 0.78 PARP1 (0.44) PARP1NR3C2MMP12MTNR1AMTNR1B
SCHEMBL8308025 0.77 PARP1 (0.45) PARP1NR3C2MMP12MTNR1AMTNR1B
SCHEMBL8304103 0.76 NR3C2 (0.42) PARP1NR3C2MMP12MTNR1AMTNR1B
SCHEMBL8301738 0.73 PARP1 (0.39) PARP1NR3C2MMP12MTNR1AMTNR1B
SCHEMBL2483112 0.72 NR3C2 (0.47) PARP1NR3C2MMP12ALDH1A1MAPT
SCHEMBL8307065 0.70 PARP1 (0.40) PARP1NR3C2MMP12MTNR1AMTNR1B
SCHEMBL17348473 0.69 NR3C2 (0.57) PARP1NR3C2MMP12MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548254-B1 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN INC (US) 1999-06-02 EP disclosed
EP-0548254-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1993-06-30 EP disclosed
WO-1992004345-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1992-03-19 WO disclosed
US-5091528-A Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors ALLERGAN, INC. (US) 1992-02-25 US disclosed