SCHEMBL6950882

SCHEMBL6950882

Clc1cccc2ccc(CC3CNC=N3)cc12

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.58
CYP1A2 P05177 2/20 0.34
CYP2A6 P11509 1/20 0.34
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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 SCHEMBL8093570 0.90 ADRA2A (0.49) ADRA2ACYP1A2CYP2D6CYP2C19
Fumaric Acid SCHEMBL8093564 0.90 ADRA2A (0.49) ADRA2ACYP1A2CYP2D6CYP2C19
SCHEMBL6954690 0.80 SLC6A2 (0.41) ADRA2ACYP1A2CYP2A6CYP3A4CYP2D6
SCHEMBL3441406 0.72 CYP2D6 (0.51) ADRA2ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6957391 0.71 SLC6A2 (0.39) ADRA2ACYP1A2CYP2A6SLC6A2SLC6A4
Fumaric Acid SCHEMBL8084690 0.71 TBXA2R (0.43) CYP1A2CYP3A4CYP2D6CYP2C9SLC6A2
Fumaric Acid SCHEMBL8084695 0.71 TBXA2R (0.43) CYP1A2CYP3A4CYP2D6CYP2C9SLC6A2
SCHEMBL8093566 0.70 ADRA2A (0.46) ADRA2A
SCHEMBL3441576 0.70 ADRA2A (0.42) ADRA2A
SCHEMBL3441577 0.70 ADRA2A (0.42) ADRA2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1183907-C Imidazoline compound, preparing process thereof and pharmaceutical composition contg. same SERVIER LAB (FR) 2005-01-12 CN claimed
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP claimed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US claimed
EP-1010693-A1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP claimed
EP-1010693-B1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-09-24 EP disclosed
US-6127396-A Imidazoline compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed
EP-1010693-A1 Imidazoline derivatives, preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-06-21 EP disclosed