SCHEMBL31298090

SCHEMBL31298090

O=C(NCCc1ccccc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
CHRM4 P08173 1/20 0.65
GAA P10253 1/20 0.61
ACHE P22303 1/20 0.57
HTT P42858 1/20 0.56
SLC6A7 Q99884 3/20 0.56
ALDH1A1 P00352 1/20 0.55
MDM2 Q00987 1/20 0.55
MLLT1 Q03111 1/20 0.55
KMT2A Q03164 1/20 0.53
TPSAB1 Q15661 1/20 0.53
P2RY12 Q9H244 1/20 0.53
HTR7 P34969 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KIT P10721 1/20 0.52

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
SCHEMBL17117320 0.83 DRD2 (0.65) CHRM4GAAHTTALDH1A1KMT2A
SCHEMBL12331981 0.83 P2RY12 (0.57) KDM4ECHRM4ALDH1A1TPSAB1P2RY12
SCHEMBL13930757 0.83 CHRM4 (0.70) CHRM4P2RY12HSD17B10KIT
SCHEMBL13930741 0.83 CHRM4 (0.56) KDM4ECHRM4KMT2ATPSAB1P2RY12
SCHEMBL14413747 0.83 CHRM4 (0.50) KDM4ECHRM4GAAHTTALDH1A1
SCHEMBL12190509 0.81 TSHR (0.53) KDM4ECHRM4ACHEALDH1A1TPSAB1
SCHEMBL12214313 0.81 KDM4E (0.58) KDM4ECHRM4ALDH1A1KMT2AP2RY12
SCHEMBL13548403 0.81 P2RY12 (0.55) KDM4ECHRM4ACHETPSAB1P2RY12
SCHEMBL12190505 0.81 GAA (0.64) CHRM4GAAHSD17B10
SCHEMBL311932 0.80 GAA (0.67) GAAHTTALDH1A1KMT2ATPSAB1

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
CN-119241572-A Zinc carbonyl reagent and preparation method and application thereof 苏州大学 2025-01-03 CN disclosed