SCHEMBL8488446

SCHEMBL8488446

OC(Cc1ncc[nH]1)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.37
TERT O14746 1/20 0.35
ALOX15 P16050 1/20 0.34
FDPS P14324 1/20 0.33
TBXAS1 P24557 2/20 0.33
NAMPT P43490 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 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
SCHEMBL3913688 0.76 TAAR1 (0.39) TAAR1ALOX15
SCHEMBL3528465 0.76 TAAR1 (0.39) TAAR1
SCHEMBL6299755 0.76 TAAR1 (0.51) TAAR1CYP2D6L3MBTL1
SCHEMBL6299922 0.76 TAAR1 (0.51) TAAR1CYP2D6L3MBTL1
SCHEMBL11433713 0.75 ADRA2A (0.49) TAAR1CYP1A2CYP3A4CYP2D6ADRA2A
SCHEMBL3527343 0.74 TAAR1 (0.34) TAAR1ALOX15FDPSNAMPT
SCHEMBL11296792 0.73 TAAR1 (0.42) TAAR1ALOX15NAMPT
SCHEMBL8490772 0.72 F2RL1 (0.42) ADRA2AADRA2BADRA2C
SCHEMBL7518159 0.72 ADRA2C (0.46) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6572921 0.72 ADRA2C (0.46) TAAR1CYP1A2CYP3A4CYP2D6CYP2C9

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-1999037636-A1 HETEROCYCLYL-DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 1999-07-29 WO disclosed