SCHEMBL9724847

SCHEMBL9724847

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.65
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.55
HTT P42858 1/20 0.53
NAMPT P43490 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EPHX2 P34913 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SGMS2 Q8NHU3 1/20 0.49
NOTUM Q6P988 1/20 0.49

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
SCHEMBL9724808 0.85 MEN1 (0.53) RAB9ANPC1HTTCYP2D6ALDH1A1
SCHEMBL9724833 0.84 LMNA (0.54) PKMRAB9ANPC1HTTCYP3A4
SCHEMBL26502092 0.83 PKM (0.65) PKMRAB9ANPC1HTTNAMPT
SCHEMBL9586701 0.82 PKM (0.57) PKMRAB9ANPC1HTTNAMPT
SCHEMBL9724784 0.81 PKM (0.62) PKMRAB9ANPC1ALDH1A1MEN1
SCHEMBL9724829 0.77 BACE1 (0.54) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL18439983 0.76 RAB9A (0.61) PKMRAB9ANPC1HTTSMN1; SMN2
SCHEMBL9724970 0.76 MAPT (0.55) RAB9ANPC1CYP1A2SMN1; SMN2ALDH1A1
SCHEMBL9724967 0.76 MAPT (0.67) RAB9ANPC1HTTSMN1; SMN2ALDH1A1
SCHEMBL16008987 0.76 FPR2 (0.62) PKMRAB9ANPC1MEN1KMT2A

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed