SCHEMBL20343418

SCHEMBL20343418

N#CCC(=O)N1C[C@H]2CCC[C@H]2C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
JAK3 P52333 6/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 1/20 0.39
JAK1 P23458 9/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 6/20 0.35
TYK2 P29597 2/20 0.35
DPP4 P27487 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL15077584 0.96 HSD11B1 (0.46) HSD11B1JAK3ALDH1A1CYP3A4JAK1
SCHEMBL16199664 0.81 JAK2 (0.39) HSD11B1JAK1KMT2AMEN1MAPT
SCHEMBL20343397 0.81 JAK2 (0.39) HSD11B1JAK1KMT2AMEN1MAPT
SCHEMBL20343457 0.81 JAK1 (0.41) JAK3ALDH1A1CYP3A4JAK1KMT2A
SCHEMBL22754623 0.80 JAK1 (0.40) JAK3ALDH1A1CYP3A4JAK1JAK2
SCHEMBL20082804 0.78 JAK1 (0.43) JAK3ALDH1A1JAK1KMT2AMEN1
SCHEMBL22007556 0.78 JAK1 (0.43) JAK3ALDH1A1JAK1KMT2AMEN1
SCHEMBL20343491 0.78 JAK1 (0.43) JAK3ALDH1A1JAK1KMT2AMEN1
SCHEMBL1899294 0.78 ALDH1A1 (0.38) HSD11B1JAK3ALDH1A1CYP3A4JAK1
SCHEMBL20082891 0.77 HSD11B1 (0.33) HSD11B1ALDH1A1KMT2AMEN1MAPT

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-2796460-B1 PYRROLE SIX-MEMBERED HETEROARYL RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICINAL USES THEREOF JIANGSU HENGRUI MEDICINE CO (CN) 2018-07-04 EP disclosed