SCHEMBL9558509

SCHEMBL9558509

c1cc(CNC2=NCCO2)cc(CNC2=NCCO2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 12/20 0.43
▸ ADRA2B P18089 10/20 0.43
▸ ADRA2C P18825 10/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.39
▸ CFB P00751 1/20 0.38
▸ ADRA1A P35348 5/20 0.38
▸ 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
▸ NISCH Q9Y2I1 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34

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
SCHEMBL10438954 0.92 PIM1 (0.43) ADRA2AADRA2BADRA2CTAAR1CFB
SCHEMBL12870230 0.89 APP (0.42) ADRA2AADRA2BADRA2CCYP1A2CYP2D6
SCHEMBL1178570 0.89 GSK3B (0.44) CYP1A2CYP3A4CYP2D6CYP2C9CLK4
SCHEMBL2023829 0.88 ADRA2A (0.50) ADRA2AADRA2BADRA2CCFBMAOA
SCHEMBL1179041 0.82 MEP1B (0.43) ADRA2AADRA2BADRA2CADRA1ACYP1A2
SCHEMBL4217069 0.75 ADRA2A (0.52) ADRA2AADRA2BADRA2CTAAR1ADRA1A
SCHEMBL11246301 0.74 RAB9A (0.47) ADRA2ATAAR1ADRA1ATSHRCLK4
SCHEMBL1178520 0.73 TAAR1 (0.47) ADRA2AADRA2BADRA2CTAAR1CFB
SCHEMBL1178307 0.73 CYP2A13 (0.43) CFBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1179180 0.72 CYP2A13 (0.41) ADRA2AADRA2BADRA2CCFBADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196531-A Poly(N-cyclic iminoether), process for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1993-03-23 — — US disclosed
EP-0351814-A2 Poly (N-cyclic iminoether), processes for production thereof, thermosetting composition containing it and thermoset resin TEIJIN LIMITED (JP) 1990-01-24 — — EP disclosed
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