SCHEMBL4794671

SCHEMBL4794671

CCCCCCCC(C)c1nc(CCCc2ccccc2)cc(-c2ccc(CC3=NCCN3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 5/20 0.51
TAAR1 Q96RJ0 3/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
HTR1B P28222 4/20 0.40
NISCH Q9Y2I1 7/20 0.39
NFKB1 P19838 1/20 0.39
MAOA P21397 5/20 0.38
MAOB P27338 5/20 0.38
DHODH Q02127 1/20 0.36

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
SCHEMBL4774621 0.81 DHODH (0.41) DHODH
SCHEMBL4774798 0.80 NOS3 (0.42) MAOBDHODH
SCHEMBL4878946 0.77 ADRA2A (0.39) ADRA2AADRA2BADRA2CNISCH
SCHEMBL4794392 0.77 DHODH (0.36) DHODH
SCHEMBL4780548 0.77 DHODH (0.39) DHODH
SCHEMBL4795959 0.76 ADRA2A (0.39) ADRA2AADRA2BADRA2CNISCH
SCHEMBL4774769 0.75 SLC6A2 (0.37) CYP2D6CYP1A2DHODH
SCHEMBL4793089 0.75 ADRA2A (0.38) ADRA2AADRA2BADRA2C
SCHEMBL4796492 0.74 TAAR1 (0.42) TAAR1DHODH
SCHEMBL4780934 0.72 DHODH (0.40) DHODH

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
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed