SCHEMBL14640609

SCHEMBL14640609

O=C(NCCc1ccc(Cl)cc1)C(Cl)(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GFER P55789 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
IDO1 P14902 1/20 0.54
LMNA P02545 2/20 0.54
PLAAT3 P53816 1/20 0.53
PLAAT5 Q96KN8 1/20 0.53
PLAAT2 Q9NWW9 1/20 0.53
PLAAT4 Q9UL19 1/20 0.53

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
SCHEMBL1094537 0.84 CNR1 (0.57) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL27353884 0.84 ESRRG (0.54) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL17131842 0.84 HPGD (0.55) CNR1NPC1RAB9AGAASMN1; SMN2
SCHEMBL25342705 0.81 CYP1A2 (0.58) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL4582082 0.79 TAAR1 (0.65) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL5574769 0.78 LMNA (0.66) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL1008891 0.78 KDM4E (0.70) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL8581580 0.78 IDO1 (0.68) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL25344865 0.78 CYP1A2 (0.54) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL5681870 0.76 CA12 (0.75) CNR1CYP1A2CYP2D6CYP2C19L3MBTL1

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-2007011290-A1 Bronchorelaxing agents based on indol- and isoquinoline derivatives RESPIRATORIUS AB (SE) 2007-01-25 WO disclosed