SCHEMBL20744221

SCHEMBL20744221

CN1CC[C@H]2CN(C(=O)O)CCC21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.45
KMT5A Q9NQR1 1/20 0.35
CHRM1 P11229 3/20 0.34
HSD11B1 P28845 1/20 0.32
GNAI3 P08754 2/20 0.31
GNAO1 P09471 2/20 0.31
GNAI1 P63096 2/20 0.31
HRH3 Q9Y5N1 3/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 3/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9790975 0.87 KMT5A (0.42) L3MBTL3KMT5ACHRM1HRH3ALDH1A1
SCHEMBL20744455 0.87 L3MBTL3 (0.46) L3MBTL3KMT5ACHRM1GNAI3GNAO1
SCHEMBL25389420 0.79 DPP7 (0.34) HSD11B1
SCHEMBL29678691 0.78 HSD11B1 (0.40) L3MBTL3HSD11B1CHRM2MEN1CYP2D6
SCHEMBL25426783 0.76 HSD11B1 (0.41) L3MBTL3CHRM1HSD11B1CHRM2MEN1
SCHEMBL25427337 0.76 HSD11B1 (0.41) L3MBTL3CHRM1HSD11B1CHRM2MEN1
SCHEMBL29143116 0.76 HSD11B1 (0.44) L3MBTL3HSD11B1GNAI3GNAO1GNAI1
SCHEMBL25429104 0.76 HSD11B1 (0.41) L3MBTL3CHRM1HSD11B1CHRM2MEN1
SCHEMBL15948708 0.76 CHRNB2 (0.47) L3MBTL3KMT5ACHRM1HRH3CHRM2
SCHEMBL12505797 0.74 KMT5A (0.41) L3MBTL3KMT5ACHRM1HRH3CHRM2

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-3668882-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER Cancer Research Technology Limited (GB) 2020-06-24 EP disclosed
WO-2019034890-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-02-21 WO disclosed