SCHEMBL21077844

SCHEMBL21077844

CCc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.58
HTR2A P28223 2/20 0.56
HTR2C P28335 1/20 0.56
CYP2D6 P10635 4/20 0.54
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
PDK2 Q15119 2/20 0.48
CCR5 P51681 1/20 0.48
LMNA P02545 1/20 0.48
CCR3 P51677 1/20 0.47

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
SCHEMBL25498560 0.84 LMNA (0.65) MCHR1PDK2CCR5LMNA
SCHEMBL12082859 0.84 PDK2 (0.61) MCHR1HTR2AHTR2CJAK2JAK1
SCHEMBL94337 0.82 MCHR1 (0.50) MCHR1PDK2CCR5LMNA
SCHEMBL16553814 0.82 HTR2A (0.54) MCHR1HTR2AHTR2CJAK2JAK1
SCHEMBL1164100 0.82 MCHR1 (0.50) MCHR1PDK2CCR5LMNA
SCHEMBL3329900 0.82 CCR5 (0.55) MCHR1HTR2AHTR2CJAK2JAK1
SCHEMBL17886830 0.80 HTR2A (0.56) MCHR1HTR2AHTR2CPDK2LMNA
SCHEMBL15088420 0.80 MCHR1 (0.67) MCHR1HTR2AHTR2CJAK2JAK1
SCHEMBL28506409 0.80 MCHR1 (0.48) MCHR1PDK2CCR5LMNA
SCHEMBL1448084 0.79 MCHR1 (0.47) MCHR1JAK2JAK1PDK2CCR5

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
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed