SCHEMBL30201416

SCHEMBL30201416

CC1CN(C(=O)c2cccnc2)CCO1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
GLRA1 P23415 1/20 0.51
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
PKM P14618 1/20 0.50
GAA P10253 1/20 0.50
VNN1 O95497 2/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
FABP6 P51161 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
SCHEMBL14197788 0.83 RECQL (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14730730 0.83 RECQL (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14753023 0.83 HPGD (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13211802 0.81 RECQL (0.72) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Nicopholine SCHEMBL29915283 0.80 PKM (0.61) MAPK1TDP1HPGDPKMGAA
Nicopholine SCHEMBL11483977 0.80 PKM (0.61) MAPK1TDP1HPGDPKMGAA
Nicopholine SCHEMBL967933 0.80 PKM (0.61) MAPK1TDP1HPGDPKMGAA
SCHEMBL19049606 0.78 RAB9A (0.52) HPGDMEN1KMT2A
SCHEMBL9763711 0.77 PKM (0.74) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23387939 0.77 GLRA1 (0.50) GLRA1NPC1HPGDVNN1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4376841-A1 PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING Epirium Bio Inc. (US) 2024-06-05 EP disclosed
WO-2023009642-A1 PYRROLO[2,3-B]PYRIDINE PGDH INHIBITORS AND METHODS OF MAKING AND USING EPIRIUM BIO INC. (US) 2023-02-02 WO disclosed