SCHEMBL8301771

SCHEMBL8301771

C=CCc1c(N)ccc2c1NC(=O)CO2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.37
PARP1 P09874 3/20 0.37
MMP12 P39900 1/20 0.36
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
IMPDH2 P12268 1/20 0.34
HPGD P15428 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PKM P14618 2/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GRM5 P41594 1/20 0.32
CCR1 P32246 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL8301749 0.81 PARP1 (0.49) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL8306326 0.79 RAB9A (0.37) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL8306817 0.79 PARP1 (0.43) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL8304724 0.76 DRD2 (0.34) NR3C2PARP1CYP3A4CCR1KCNH2
SCHEMBL6432532 0.74 NR3C2 (0.56) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL7844765 0.73 GAA (0.36) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL8304103 0.70 NR3C2 (0.42) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL8307693 0.69 PARP1 (0.43) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL2483112 0.69 NR3C2 (0.47) NR3C2PARP1MMP12ALDH1A1MAPT
SCHEMBL845635 0.67 IMPDH2 (0.53) ALDH1A1MAPTIMPDH2HPGDKMT2A

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