SCHEMBL7738762

SCHEMBL7738762

O=CCC(c1ccc(NC2=NCCN2)cc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.59
ADRA2B P18089 14/20 0.59
ADRA2C P18825 14/20 0.59
PTGIR P43119 2/20 0.42
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
LRRK2 Q5S007 1/20 0.39
KDM1A O60341 1/20 0.38
GPR65 Q8IYL9 1/20 0.38

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
SCHEMBL4690714 0.80 ADRA2A (0.71) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL6159235 0.73 ADRA2A (0.57) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5654958 0.73 ADRA2A (0.57) ADRA2AADRA2BADRA2CKDM1A
SCHEMBL6969768 0.73 MAPT (0.42) ADRA2C
SCHEMBL2525631 0.71 ADRA2A (0.56) ADRA2AADRA2BADRA2C
SCHEMBL6159740 0.69 ADRA2A (0.50) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL5806235 0.66 ADRA2A (0.65) ADRA2AADRA2BADRA2CPTGIR
SCHEMBL27642289 0.66 ADRA2A (0.49) ADRA2AADRA2BADRA2CPTGIRADRA1D
SCHEMBL7980595 0.65 MAPT (0.62) KDM1A
SCHEMBL5658117 0.65 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 US disclosed