SCHEMBL23013124

SCHEMBL23013124

O=C(O)NCC1CCN(Cc2cscn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 3/20 0.41
HDAC4 P56524 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC7 Q8WUI4 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC9 Q9UKV0 3/20 0.41
HDAC5 Q9UQL6 3/20 0.41
SCN9A Q15858 4/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL23028550 0.83 CKS1B (0.47) FNTAFNTBDRD2KDM4EJAK2
SCHEMBL27910666 0.82 SCN9A (0.47) FNTAFNTBDRD2SCN9AKDM1A
SCHEMBL23028551 0.76 KCNH2 (0.45) DRD2SCN9AJAK2JAK1JAK3
SCHEMBL27030452 0.76 SMN1; SMN2 (0.45) FNTAFNTBDRD2KDM4ESMN1; SMN2
SCHEMBL23013704 0.74 CYP3A4 (0.48) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2779242 0.74 FNTA (0.41) FNTAFNTBDRD2HTR2AHRH1
SCHEMBL2779240 0.74 FNTA (0.41) FNTAFNTBDRD2HTR2AHRH1
SCHEMBL210366 0.74 OPRD1 (0.42) FNTAFNTBDRD2KDM4ESCN9A
SCHEMBL21571608 0.73 CACNA1I (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14375269 0.73 ALDH1A1 (0.49) DRD2SCN9AACHEJAK2JAK1

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-4017849-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
WO-2021032934-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed