SCHEMBL6951255

SCHEMBL6951255

Clc1cccc2c1CC(CC1CNC=N1)CC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
ADRA2A P08913 3/20 0.37
HTR2C P28335 2/20 0.35
CYP2D6 P10635 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL6950361 0.81 CYP19A1 (0.46) ADRA2AOPRM1OPRL1
SCHEMBL6955604 0.73 ADRA2A (0.49) ADRA2AADRA2BADRA2C
SCHEMBL6951819 0.73 ADRA2A (0.36) ADRA2A
Fumaric Acid SCHEMBL8097411 0.72 CYP19A1 (0.38) ADRA2A
Fumaric Acid SCHEMBL8097408 0.72 CYP19A1 (0.38) ADRA2A
SCHEMBL24210488 0.72 CYP2D6 (0.45) PNMTADRA2ACYP2D6ADRA2BADRA2C
SCHEMBL6950989 0.71 SLC6A4 (0.45) ADRA2AHTR2CADRA2BADRA2C
SCHEMBL8100204 0.67 OPRM1 (0.31) OPRM1OPRD1OPRK1OPRL1TRPV1
SCHEMBL6959118 0.67 SLC6A4 (0.38) PNMTADRA2AHTR2CADRA2BADRA2C
SCHEMBL6950977 0.66 ADRA2A (0.59) PNMTADRA2AHTR2C

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