SCHEMBL9149178

SCHEMBL9149178

N#CC(CCc1ccccc1)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
CCR1 P32246 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRM2 P08172 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
FABP1 P07148 1/20 0.38
FABP6 P51161 1/20 0.38
ABCB1 P08183 1/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL26451706 0.84 CCR1 (0.40) SMN1; SMN2CCR1MEN1GAAKMT2A
SCHEMBL27779093 0.79 CCR1 (0.48) SMN1; SMN2CCR1MEN1GAAKMT2A
SCHEMBL21632100 0.78 SMN1; SMN2 (0.49) SMN1; SMN2CCR1MEN1GAAKMT2A
SCHEMBL26450125 0.78 FFAR1 (0.43) SMN1; SMN2MEN1GAAKMT2ATSHR
SCHEMBL11223803 0.76 SMN1; SMN2 (0.47) SMN1; SMN2CCR1MEN1GAAKMT2A
SCHEMBL27792007 0.76 SMN1; SMN2 (0.49) SMN1; SMN2CCR1MEN1GAAKMT2A
SCHEMBL10984015 0.76 GAA (0.45) SMN1; SMN2CCR1MEN1GAAKMT2A
SCHEMBL10632634 0.76 SMN1; SMN2 (0.53) SMN1; SMN2CCR1MEN1GAAKMT2A
SCHEMBL1343597 0.75 ACP3 (0.44) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL27925029 0.75 SMN1; SMN2 (0.46) SMN1; SMN2CCR1MEN1GAAKMT2A

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
US-5416118-A Enzyme inhibitors SCHERING CORPORATION (US) 1995-05-16 US disclosed
EP-0583346-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1994-02-23 EP disclosed
WO-1992018462-A1 BICYCLIC AMIDES AS INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL ACYL TRANSFERASE SCHERING CORPORATION (US) 1992-10-29 WO disclosed
EP-0508425-A1 Bicyclic amides as inhibitors of acyl-coenzyme a: cholesterol acyl transferase SCHERING CORPORATION (US) 1992-10-14 EP disclosed