SCHEMBL7302740

SCHEMBL7302740

CN(Cc1ccncc1)C1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.44
JAK3 P52333 2/20 0.44
MCHR1 Q99705 2/20 0.43
PDE4A P27815 1/20 0.41
LSS P48449 1/20 0.41
F10 P00742 4/20 0.41
HDAC1 Q13547 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
RORC P51449 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
NR3C2 P08235 1/20 0.38

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
SCHEMBL9451750 0.92 LSS (0.47) JAK2JAK3MCHR1LSSHDAC1
Hydrochloric Acid SCHEMBL7307376 0.88 MCHR1 (0.53) MCHR1LSSADRB2ADRB1ADRB3
SCHEMBL9451668 0.83 MAPT (0.46) MCHR1LSSALDH1A1MAPT
SCHEMBL9451687 0.82 MCHR1 (0.57) JAK2JAK3MCHR1HDAC1ADRB2
SCHEMBL9451561 0.81 DRD3 (0.46) JAK2JAK3MCHR1LSSKDM4E
SCHEMBL10680323 0.78 JAK2 (0.50) JAK2JAK3ALDH1A1ADRB2ADRB1
SCHEMBL2321959 0.76 ADRB1 (0.45) JAK2JAK3HDAC1KDM4EALDH1A1
SCHEMBL7296078 0.76 LSS (0.43) JAK2JAK3LSSKDM4EALDH1A1
SCHEMBL7319744 0.76 KDM4E (0.48) JAK2JAK3KDM4EADRB2ADRB1
SCHEMBL9828313 0.75 JAK2 (0.47) JAK2JAK3HDAC1ALDH1A1ADRB2

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 2 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
EP-0481299-A2 N-phenyl-piperidyl-4-amines and drugs containing them BASF Aktiengesellschaft (DE) 1992-04-22 EP disclosed