SCHEMBL9619248

SCHEMBL9619248

c1ccc2c(c1)CN(NC1=NCCO1)C2

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.44
ADRA2B P18089 12/20 0.44
ADRA2C P18825 12/20 0.44
ADRA1A P35348 7/20 0.44
CFB P00751 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
NISCH Q9Y2I1 2/20 0.35
KCNN4 O15554 1/20 0.35
GMNN O75496 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
OPRK1 P41145 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL11134113 0.86 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1ACFB
Hydrochloric Acid SCHEMBL11293311 0.85 ADRA2A (0.36) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL11405247 0.74 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL8674172 0.69 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1AKCNN4
SCHEMBL3751385 0.69 ADRA2A (0.55) ADRA2AADRA2BADRA2CADRA1ACFB
Hydrochloric Acid SCHEMBL8674349 0.68 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1AKCNN4
SCHEMBL1852745 0.67 CFB (0.49) ADRA2AADRA2BADRA2CADRA1ACFB
SCHEMBL11421926 0.67 LMNA (0.45) ADRA2AADRA2BADRA2CTAAR1CYP1A2
SCHEMBL6054462 0.66 NISCH (0.69) ADRA2AADRA2BADRA2CADRA1ANISCH
SCHEMBL11420042 0.66 POLB (0.50) TAAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254777-B1 Use of imidazolinylaminoisoindolines and related compounds for the manufacture of a medicament for the treatment of hyperglycaemia. BEECHAM GROUP PLC (GB) 1992-03-04 EP claimed
EP-0212783-B1 USE OF IMIDAZOLINYLAMINOISOINDOLINES AND RELATED COMPOUNDS IN THE TREATMENT OF HYPERGLYCAEMIA BEECHAM GROUP PLC (GB) 1992-01-08 EP claimed
EP-0254777-A2 Use of imidazolinylaminoisoindolines and related compounds for the manufacture of a medicament for the treatment of hyperglycaemia. BEECHAM GROUP PLC (GB) 1988-02-03 EP claimed
EP-0212783-A2 Use of imidazolinylaminoisoindolines and related compounds in the treatment of hyperglycaemia BEECHAM GROUP PLC (GB) 1987-03-04 EP claimed
EP-0254777-B1 Use of imidazolinylaminoisoindolines and related compounds for the manufacture of a medicament for the treatment of hyperglycaemia. BEECHAM GROUP PLC (GB) 1992-03-04 EP disclosed
US-4221798-A Hypotensive 2-heterocycloamino-imidazolines BEIERSDORF AKTIENGESELLSCHAFT (DE) 1980-09-09 US disclosed