SCHEMBL7301452

SCHEMBL7301452

CS(=O)(=O)Nc1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.64
JAK3 P52333 3/20 0.64
PTK2 Q05397 1/20 0.49
ADRB1 P08588 4/20 0.49
ADRB2 P07550 3/20 0.49
ADRB3 P13945 3/20 0.49
HDAC1 Q13547 1/20 0.47
ALDH1A1 P00352 2/20 0.45
KCNH2 Q12809 1/20 0.45
HPGDS O60760 1/20 0.44
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 2/20 0.43
NR1H4 Q96RI1 2/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL28046254 0.91 JAK2 (0.56) JAK2JAK3PTK2ADRB1ADRB2
SCHEMBL28704613 0.84 JAK2 (0.49) JAK2JAK3ADRB1ADRB2ADRB3
SCHEMBL28824858 0.82 MAPT (0.60) ALDH1A1MAPTRECQLSMN1; SMN2EPHX2
SCHEMBL16261606 0.80 MAPT (0.63) ALDH1A1MAPTRECQLSMN1; SMN2EPHX2
SCHEMBL3957543 0.80 JAK2 (1.00) JAK2JAK3HDAC1
SCHEMBL4500240 0.79 GPR119 (0.58) JAK2JAK3
SCHEMBL10426116 0.79 ALDH1A1 (0.59) JAK2JAK3PTK2ADRB1ADRB2
SCHEMBL2321959 0.79 ADRB1 (0.45) JAK2JAK3ADRB1ADRB2ADRB3
SCHEMBL8781158 0.78 HTR6 (0.61) PTK2ADRB1ADRB2ADRB3ALDH1A1
SCHEMBL5851742 0.78 HTR6 (0.64) PTK2ADRB1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0481299-B1 N-phenyl-piperidyl-4-amines and drugs containing them BASF AG (DE) 1994-07-20 EP disclosed
US-5260318-A Phenylpiperidylamines and drugs containing them BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
EP-0481299-A2 N-phenyl-piperidyl-4-amines and drugs containing them BASF Aktiengesellschaft (DE) 1992-04-22 EP disclosed