SCHEMBL14280331

SCHEMBL14280331

CC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
ALDH1A1 P00352 5/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 2/20 0.54
AGTR2 P50052 1/20 0.54
TACR1 P25103 1/20 0.54
GRM5 P41594 1/20 0.49
SRD5A2 P31213 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL13841236 0.85 GAA (0.57) ACHEALDH1A1SMN1; SMN2L3MBTL1GAA
SCHEMBL7467929 0.84 ALDH1A1 (0.77) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL13597199 0.83 TACR1 (0.57) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL10666731 0.82 ALDH1A1 (0.56) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL11195264 0.80 ALDH1A1 (0.83) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL10670574 0.79 ALDH1A1 (0.66) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL11661567 0.79 ALDH1A1 (0.87) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL13597201 0.78 TACR1 (0.62) ALDH1A1POLBSMN1; SMN2KMT2AMEN1
SCHEMBL13841268 0.76 GAA (0.51) ACHESMN1; SMN2KMT2AGAAAGTR2
SCHEMBL3310703 0.76 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2KMT2AMEN1

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
WO-2008025857-A2 NEW METHOD FOR THE TREATMENT OF INFLAMMATORY DISEASES TOPOTARGET SWITZERLAND SA (CH) 2008-03-06 WO disclosed