SCHEMBL8091868

SCHEMBL8091868

CC1(CC2CCc3ccccc3C2)CNC(OC(=O)/C=C/C(=O)OC2=NC(C)(CC3CCc4ccccc4C3)CN2)=N1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.37
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
FAAH O00519 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
PREP P48147 4/20 0.32
MCHR1 Q99705 2/20 0.32
HTR1A P08908 1/20 0.32
HTR1D P28221 1/20 0.32
TPH1 P17752 1/20 0.32
IDH1 O75874 1/20 0.32
NPY1R P25929 1/20 0.32
NPY5R Q15761 1/20 0.32
GBA1 P04062 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL8097409 0.74 CYP19A1 (0.40) CYP19A1MTNR1AMTNR1BFAAHADRA1D
Fumaric Acid SCHEMBL8091873 0.73 LMNA (0.41) CYP19A1MTNR1AMTNR1BADRA1DADRA1A
Fumaric Acid SCHEMBL8091860 0.73 LMNA (0.41) CYP19A1MTNR1AMTNR1BADRA1DADRA1A
SCHEMBL6949244 0.70 CYP19A1 (0.43) CYP19A1ADRA1DADRA1AADRA1BHTR1A
SCHEMBL6427473 0.61 PREP (0.50) CYP19A1MTNR1AMTNR1BADRA1DADRA1A
SCHEMBL7304447 0.60 DGAT1 (0.58) CYP19A1MTNR1AMTNR1BPREPHTR1A
SCHEMBL3406500 0.60 DGAT1 (0.58) CYP19A1MTNR1AMTNR1BPREPHTR1A
SCHEMBL30612421 0.60 DGAT1 (0.58) CYP19A1MTNR1AMTNR1BPREPHTR1A
SCHEMBL7292707 0.60 DGAT1 (0.58) CYP19A1MTNR1AMTNR1BPREPHTR1A
SCHEMBL11790481 0.60 MTNR1A (0.54) MTNR1AMTNR1BFAAHNPY5R

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-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed