SCHEMBL6949244

SCHEMBL6949244

CC1(CC2CCc3ccccc3C2)CNC=N1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
HTR1A P08908 4/20 0.37
SIGMAR1 Q99720 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
GBA1 P04062 1/20 0.36
PLAU P00749 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ADRA2A P08913 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTR1D P28221 1/20 0.34
CYP11B2 P19099 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
Fumaric Acid SCHEMBL8091860 0.89 LMNA (0.41) CYP19A1HTR1ASIGMAR1GBA1ADRA1D
Fumaric Acid SCHEMBL8091873 0.89 LMNA (0.41) CYP19A1HTR1ASIGMAR1GBA1ADRA1D
SCHEMBL8091868 0.70 CYP19A1 (0.37) CYP19A1HTR1AGBA1ADRA1DADRA1A
SCHEMBL599314 0.68 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1OPRM1OPRL1
SCHEMBL6959621 0.67 ADRA2A (0.45) CYP19A1HTR1AADRA2ACYP11B2
SCHEMBL6950361 0.66 CYP19A1 (0.46) CYP19A1HTR1ASIGMAR1OPRM1OPRL1
SCHEMBL9139949 0.65 HTR1A (0.53) CYP19A1HTR1ASIGMAR1OPRM1OPRL1
SCHEMBL1689733 0.65 PLAU (0.55) CYP19A1HTR1ASIGMAR1OPRM1OPRL1
SCHEMBL9935276 0.65 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1OPRM1OPRL1
SCHEMBL15701675 0.65 CYP19A1 (0.54) CYP19A1HTR1ASIGMAR1OPRM1OPRL1

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
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
EP-1010693-A1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed