SCHEMBL9451687

SCHEMBL9451687

CN(Cc1ccccn1)C1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.57
GPR119 Q8TDV5 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
JAK2 O60674 5/20 0.44
JAK3 P52333 2/20 0.44
PIK3CA P42336 1/20 0.44
ADRB1 P08588 5/20 0.42
ADRB2 P07550 3/20 0.42
ADRB3 P13945 3/20 0.42
HDAC1 Q13547 2/20 0.41
RORC P51449 1/20 0.40
JAK1 P23458 1/20 0.39
GFER P55789 1/20 0.39
ENPP2 Q13822 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
Hydrochloric Acid SCHEMBL7307376 0.83 MCHR1 (0.53) MCHR1ADRB1ADRB2ADRB3RORC
SCHEMBL9451750 0.82 LSS (0.47) MCHR1JAK2JAK3ADRB1ADRB2
SCHEMBL7302740 0.82 JAK2 (0.44) MCHR1JAK2JAK3ADRB1ADRB2
SCHEMBL9451683 0.77 JAK2 (0.46) GPR119JAK2JAK3ADRB1ADRB2
SCHEMBL9451561 0.76 DRD3 (0.46) MCHR1JAK2JAK3ADRB1ADRB2
SCHEMBL13621154 0.74 KDM4E (0.57) MCHR1
SCHEMBL9451668 0.74 MAPT (0.46) MCHR1MEN1KMT2A
SCHEMBL17888208 0.74 TDP1 (0.52) MCHR1KMT2A
SCHEMBL10676523 0.74 GPR119 (0.62) GPR119JAK2JAK3ADRB1ADRB2
SCHEMBL2321959 0.74 ADRB1 (0.45) GPR119JAK2JAK3ADRB1ADRB2

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