SCHEMBL6969906

SCHEMBL6969906

Nc1ccccc1C(=O)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.64
HSD11B1 P28845 4/20 0.64
CPB1 P15086 1/20 0.62
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ACHE P22303 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX1 P07099 1/20 0.51

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 SCHEMBL6979800 0.99 MGLL (0.63) MGLLHSD11B1CPB1KMT2AMEN1
SCHEMBL6973342 0.84 MGLL (0.67) MGLLHSD11B1KMT2AMEN1
SCHEMBL1720183 0.83 MGLL (0.82) MGLLHSD11B1CPB1KMT2AMEN1
SCHEMBL6969303 0.81 POLB (0.60) MGLLHSD11B1ACHESMN1; SMN2
Hydrochloric Acid SCHEMBL6969837 0.81 POLB (0.59) MGLLHSD11B1ACHESMN1; SMN2
SCHEMBL6575271 0.79 HSD11B1 (0.50) MGLLHSD11B1
SCHEMBL4148296 0.79 HSD11B1 (0.52) MGLLHSD11B1CPB1
SCHEMBL6348741 0.79 HSD11B1 (1.00) MGLLHSD11B1KMT2A
SCHEMBL9029952 0.79 SMN1; SMN2 (0.82) MGLLHSD11B1KMT2AMEN1ACHE
SCHEMBL1673861 0.78 MAPT (0.73) MGLLHSD11B1KMT2AMEN1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892795-B1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMA (JP) 2003-01-08 EP disclosed
US-5948786-A BLOCKING TUMOR NECROSIS FACTOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-09-07 US disclosed
EP-0892795-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-01-27 EP disclosed
WO-1997038992-A1 PIPERIDINYLPYRAMIDINE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-23 WO disclosed