SCHEMBL4774770

SCHEMBL4774770

CCCCCCCC(C)c1nc(CCCc2ccccc2)cc(-c2ccc(NCC3CCCN3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.39
LTA4H P09960 1/20 0.34
ACP1 P24666 3/20 0.33
PRMT5 O14744 1/20 0.32
DHODH Q02127 1/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
MAOB P27338 2/20 0.32
HTR6 P50406 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
P2RY12 Q9H244 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 1/20 0.31
TACR3 P29371 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
SREBF2 Q12772 1/20 0.31

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
SCHEMBL4774769 0.82 SLC6A2 (0.37) DHODHTACR3
SCHEMBL4796492 0.77 TAAR1 (0.42) DHODHTACR3SREBF2
SCHEMBL4774798 0.77 NOS3 (0.42) DHODHMAOBTACR3
SCHEMBL4774621 0.76 DHODH (0.41) DHODHTACR3
SCHEMBL4794671 0.74 HTR1D (0.51) DHODHMAOB
SCHEMBL4795346 0.73 CTSK (0.41) DHODH
SCHEMBL4780548 0.73 DHODH (0.39) DHODHTACR3
SCHEMBL4791758 0.73 SREBF2 (0.36) DHODHTRPV1SREBF2
SCHEMBL4794392 0.72 DHODH (0.36) DHODHTACR3
SCHEMBL4795959 0.69 ADRA2A (0.39)

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