SCHEMBL8938751

SCHEMBL8938751

CN(C)C(=O)Nc1ccccc1N1CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NOTUM Q6P988 1/20 0.45
USP2 O75604 1/20 0.44
P2RY1 P47900 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
NFKB1 P19838 3/20 0.43
RAB9A P51151 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
TP53 P04637 2/20 0.43
PKM P14618 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
GRM1 Q13255 1/20 0.42
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL10623520 0.88 MEN1 (0.43) MAPTALDH1A1NOTUMUSP2MEN1
SCHEMBL11445874 0.84 ALDH1A1 (0.64) MAPTALDH1A1NOTUMUSP2P2RY1
SCHEMBL11446342 0.78 SMN1; SMN2 (0.59) MAPTALDH1A1USP2MEN1KMT2A
SCHEMBL14355836 0.78 MAPK1 (0.60) MAPTALDH1A1USP2MEN1KMT2A
SCHEMBL10623856 0.78 KDM4E (0.58) MAPTALDH1A1USP2SMN1; SMN2NPC1
SCHEMBL11445291 0.77 TSHR (0.52) MAPTALDH1A1USP2P2RY1KMT2A
SCHEMBL11446797 0.75 ALDH1A1 (0.56) ALDH1A1USP2P2RY1KMT2ASMN1; SMN2
SCHEMBL11445253 0.75 KCNQ2 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14356002 0.74 CHEK1 (0.54) MAPTPOLBGAA
SCHEMBL11445341 0.74 TSHR (0.62) ALDH1A1USP2KMT2ASMN1; SMN2NPC1

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-5536717-A ANTIDEPRESSANTS, ANALGESICS HOECHST MARION ROUSSEL INC. (US) 1996-07-16 US disclosed