SCHEMBL27558570

SCHEMBL27558570

[CH2]c1cn(CCc2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
HMOX1 P09601 1/20 0.42
SLC6A3 Q01959 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
MGLL Q99685 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADORA2A P29274 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CNOT7 Q9UIV1 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
P2RX4 Q99571 1/20 0.36

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
SCHEMBL1196868 0.81 HPGDS (0.51) SIGMAR1KDM4CKDM5AKDM5BNPC1
SCHEMBL8862886 0.79 HTT (0.41) HTTHMOX1SLC6A3GSK3AGSK3B
SCHEMBL21198915 0.79 ADORA2A (0.44) HTTHMOX1SLC6A3SIGMAR1ADORA2A
SCHEMBL28800303 0.79 QPCT (0.44) HTTHMOX1CNOT7POLBKMT2A
SCHEMBL28802435 0.77 HPGDS (0.55) HTTHMOX1KDM4CKDM5AKDM5B
SCHEMBL15473178 0.76 HTT (0.41) HTTHMOX1SLC6A3KDM4CMAPT
SCHEMBL6496954 0.75 HTT (0.41) HTTHMOX1SLC6A3GSK3AGSK3B
SCHEMBL4185102 0.72 HTT (0.47) HTTHMOX1SLC6A3GSK3AGSK3B
SCHEMBL1395967 0.72 TAAR1 (0.63) SIGMAR1KMT2A
Hydrochloric Acid SCHEMBL19468892 0.71 TAAR1 (0.62) SIGMAR1KMT2A

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-1330661-A Procollagen C-proteinase inhibitors HOFFMANN LA ROCHE (CH) 2002-01-09 CN disclosed