SCHEMBL11114830

SCHEMBL11114830

N#CCOc1ccccc1N1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SCN9A Q15858 1/20 0.39
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
POLB P06746 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXFP1 Q9HBX9 1/20 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
SCHEMBL11113040 0.86 DRD2 (0.40) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL11109892 0.84 KDM4E (0.40) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL10274496 0.79 SMN1; SMN2 (0.48) KMT2AMEN1NPC1ALDH1A1TP53
SCHEMBL11112128 0.78 ADRA2A (0.43) KMT2AMEN1ALDH1A1TP53MAPT
SCHEMBL11113990 0.78 OPRM1 (0.47) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL1829260 0.76 MAPT (0.58) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL27482179 0.74 KDM4E (0.42) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL11114854 0.73 MAPT (0.42) NPC1ALDH1A1RAB9ATP53MAPT
SCHEMBL5667100 0.73 ALDH1A1 (0.49) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL19327260 0.72 ADRA1A (0.49) ADRA1DADRA1AADRA1B

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
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed