SCHEMBL19905660

SCHEMBL19905660

CCNC(=O)[C@H]1C[C@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
BCHE P06276 1/20 0.38
KMT2A Q03164 2/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NAAA Q02083 1/20 0.35
KDM4E B2RXH2 1/20 0.35
DPP4 P27487 1/20 0.35
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C9 P11712 1/20 0.33
MMP1 P03956 1/20 0.33

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
SCHEMBL6736256 0.88 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL27776506 0.86 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL18923763 0.83 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL13753923 0.82 BCHE (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30988142 0.82 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL24275599 0.82 BCHE (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL17723320 0.82 BCHE (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL29712309 0.82 CHRNB2 (0.45) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL19789576 0.82 BCHE (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL19604586 0.82 BCHE (0.43) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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
WO-2024044486-A1 JAK2 INHIBITOR COMPOUNDS AJAX THERAPEUTICS, INC. (US) 2024-02-29 WO disclosed
EP-2684880-B1 DISPIROPYRROLIDINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2018-02-28 EP disclosed