SCHEMBL8301928

SCHEMBL8301928

N=C1NCCN1c1ccc2c(c1Br)OCCN2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
HTR1A P08908 1/20 0.34
PIM1 P11309 1/20 0.33
AR P10275 1/20 0.33
EGFR P00533 1/20 0.31

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
SCHEMBL8303695 0.84 ALDH1A1 (0.34) DRD2HTR1AAR
SCHEMBL8307985 0.81 DRD2 (0.34) DRD2HTR1A
SCHEMBL8303055 0.80 DRD2 (0.37) DRD2HTR1AAR
SCHEMBL8306164 0.79 DRD2 (0.33) DRD2HTR1A
SCHEMBL8303552 0.79 DRD2 (0.33) DRD2HTR1A
SCHEMBL8308190 0.78 ADRA2A (0.32)
SCHEMBL8301734 0.77
SCHEMBL8303929 0.73 ALDH1A1 (0.37) AR
SCHEMBL8304048 0.73 ALDH1A1 (0.37) AR
SCHEMBL8306967 0.72 PDE3B (0.34) HTR1A

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