SCHEMBL8926989

SCHEMBL8926989

Cc1c(NC2=NCCN2)cc(C)c2[nH]cnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.52
ADRA1A P35348 10/20 0.52
ADRA2B P18089 10/20 0.52
ADRA2C P18825 10/20 0.52
ADRA1D P25100 10/20 0.52
ADRA1B P35368 9/20 0.52
CFB P00751 3/20 0.47
HTR1D P28221 3/20 0.45
HTR1B P28222 2/20 0.45
HTR7 P34969 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7029436 0.87 ADRA2C (0.51) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6950536 0.87 ADRA2A (0.50) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6581550 0.87 ADRA2A (0.50) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL6967227 0.86 ADRA2A (0.49) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6580986 0.85 ADRA2A (0.45) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL4639205 0.84 ADRA2A (0.47) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6579469 0.84 ADRA2A (0.44) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7029441 0.82 HTR1D (0.49) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL4638692 0.79 ADRA2A (0.44) ADRA2AADRA1AADRA2BADRA2CADRA1D
Acetic Acid SCHEMBL16699530 0.79 ADRA2A (0.42) ADRA2AADRA1AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691370-A 5-(2-imidazolinylamino)benzimidazole compounds useful as alpha-2-adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1997-11-25 US disclosed
EP-0736022-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
US-5541210-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES OR COUGH MEDICINE THE PROCTER & GAMBLE COMPANY (US) 1996-07-30 US disclosed
US-5478858-A Respiratory system disorders, gastrointestinal disorders THE PROCTER & GAMBLE COMPANY (US) 1995-12-26 US disclosed
WO-1995016685-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed