SCHEMBL22878469

SCHEMBL22878469

CCOC(=O)CCN1CCN(I)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
SLC6A2 P23975 2/20 0.42
HRH2 P25021 2/20 0.42
HRH1 P35367 2/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR1E P28566 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL29700358 0.91 LMNA (0.49) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL674463 0.91 LMNA (0.49) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL8957048 0.91 LMNA (0.49) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL18164971 0.85 LMNA (0.45) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL8002029 0.85 TP53 (0.49) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL12156674 0.85 TSHR (0.45) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL12156754 0.85 ALDH1A1 (0.46) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL18149030 0.84 GLA (0.47) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL3398661 0.83 LMNA (0.46) RAB9AL3MBTL1LMNATSHRPOLB
SCHEMBL8735577 0.83 ALDH1A1 (0.50) RAB9AL3MBTL1LMNATSHRPOLB

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-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed