SCHEMBL9451683

SCHEMBL9451683

Cc1ncccc1N(C)C1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.46
JAK3 P52333 2/20 0.46
GPR119 Q8TDV5 3/20 0.44
HDAC1 Q13547 3/20 0.42
GFER P55789 1/20 0.42
JAK1 P23458 1/20 0.40
ADRB2 P07550 3/20 0.39
ADRB1 P08588 3/20 0.39
ADRB3 P13945 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CYP3A4 P08684 1/20 0.38
BRD4 O60885 1/20 0.38
SYK P43405 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9451687 0.77 MCHR1 (0.57) JAK2JAK3GPR119HDAC1GFER
SCHEMBL2321959 0.73 ADRB1 (0.45) JAK2JAK3GPR119HDAC1ADRB2
SCHEMBL7302740 0.72 JAK2 (0.44) JAK2JAK3HDAC1ADRB2ADRB1
SCHEMBL9451750 0.72 LSS (0.47) JAK2JAK3HDAC1ADRB2ADRB1
Hydrochloric Acid SCHEMBL7307376 0.71 MCHR1 (0.53) ADRB2ADRB1ADRB3RAB9A
SCHEMBL9451561 0.70 DRD3 (0.46) JAK2JAK3ADRB2ADRB1ADRB3
SCHEMBL28704613 0.70 JAK2 (0.49) JAK2JAK3GPR119HDAC1ADRB2
SCHEMBL7301452 0.70 JAK2 (0.64) JAK2JAK3HDAC1GFERADRB2
SCHEMBL7319744 0.70 KDM4E (0.48) JAK2JAK3ADRB2ADRB1ADRB3
SCHEMBL10676523 0.70 GPR119 (0.62) JAK2JAK3GPR119ADRB2ADRB1

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
US-5260318-A Phenylpiperidylamines and drugs containing them BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed