SCHEMBL16675698

SCHEMBL16675698

C[C@H]1CCN(c2cccc(NC(=O)OC(C)(C)C)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.47
LMNA P02545 1/20 0.45
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
VCP P55072 1/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 2/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL12027633 0.85 MCHR1 (0.47) GPR119BRD4HCRTR1HCRTR2
SCHEMBL24289285 0.82 GPR119 (0.50) GPR119HCRTR1HCRTR2VCPNR1H2
SCHEMBL1112019 0.80 MAPT (0.46) GPR119BRD4HCRTR1HCRTR2MAPT
SCHEMBL23961145 0.79 MAPT (0.48) MAPTALDH1A1SMN1; SMN2
SCHEMBL1540032 0.76 HDAC3 (0.49) GPR119LMNAHCRTR1HCRTR2MAPT
SCHEMBL1540031 0.76 MAPT (0.43) GPR119LMNAHCRTR1HCRTR2MAPT
SCHEMBL12279845 0.76 ALDH1A1 (0.53) GPR119LMNAMAPTTSHRALDH1A1
SCHEMBL16675746 0.76 PDK2 (0.42) LMNAMAPTTSHRALDH1A1NOTUM
SCHEMBL29029431 0.75 HDAC3 (0.56) LMNABRD4CREBBPHCRTR1HCRTR2
SCHEMBL29478358 0.74 ALDH1A1 (0.60) BRD4MAPTALDH1A1HDAC3HDAC1

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-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed