SCHEMBL7722174

SCHEMBL7722174

O=C(c1cnc2ccccc2c1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.59
MKNK2 Q9HBH9 2/20 0.59
SIGMAR1 Q99720 1/20 0.56
DPP4 P27487 2/20 0.56
MGAM O43451 1/20 0.55
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
ACACB O00763 1/20 0.50
ACACA Q13085 1/20 0.50
FASN P49327 1/20 0.50
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
CCR3 P51677 1/20 0.49
RIPK1 Q13546 1/20 0.49
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CAPN1 P07384 1/20 0.48
KDR P35968 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL28178640 0.83 SMN1; SMN2 (0.63) MKNK1MKNK2DPP4MGAMFASN
SCHEMBL31428565 0.82 RIPK1 (0.60) MKNK1MKNK2SIGMAR1DPP4ACACB
SCHEMBL7722304 0.81 DPP4 (0.54) DPP4MGAMCHRNB2CHRNA4ACACB
Trifluoroacetic Acid SCHEMBL16149057 0.79 MKNK1 (0.66) MKNK1MKNK2SIGMAR1FASNRIPK1
Trifluoroacetic Acid SCHEMBL16150958 0.79 MKNK1 (0.66) MKNK1MKNK2SIGMAR1FASNRIPK1
SCHEMBL1709010 0.79 DPP4 (0.57) DPP4MGAMCHRNB2CHRNA4ACACB
SCHEMBL1246568 0.78 SIGMAR1 (0.66) MKNK1MKNK2SIGMAR1
SCHEMBL23244124 0.78 LMNA (0.67) DPP4MGAMFASNKDM4EL3MBTL1
SCHEMBL30791185 0.78 CCR3 (0.66) DPP4CCR3L3MBTL1
SCHEMBL16599008 0.78 MAOB (0.63) DPP4MGAMFASNKDM4ECAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4615523-A1 COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2025-09-17 EP disclosed
WO-2024100095-A1 COMPOUNDS AND THEIR USE KING’S COLLEGE LONDON (GB) 2024-05-16 WO disclosed
WO-2024100095-A1 COMPOUNDS AND THEIR USE KING’S COLLEGE LONDON (GB) 2024-05-16 WO disclosed
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed