SCHEMBL24638076

SCHEMBL24638076

CCC(C)NCC1CCN(CC)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
EPHX2 P34913 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
HRH3 Q9Y5N1 2/20 0.34
HTT P42858 2/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL23560045 0.85 EPHX1 (0.41) EPHX1EPHX2SIGMAR1SMN1; SMN2KCNH2
SCHEMBL891398 0.82 SIGMAR1 (0.50) EPHX1SIGMAR1SMN1; SMN2HTT
SCHEMBL28057484 0.82
SCHEMBL22851678 0.80 PIM1 (0.36) EPHX1EPHX2SIGMAR1KCNH2CACNA1I
SCHEMBL172619 0.76 HTT (0.46) EPHX1EPHX2SIGMAR1HTT
SCHEMBL14810792 0.76 HTT (0.46) EPHX1EPHX2SIGMAR1HTT
SCHEMBL19122629 0.76 CHRM3 (0.35) EPHX1EPHX2SIGMAR1SMN1; SMN2GNAI3
SCHEMBL19083172 0.75 SIGMAR1 (0.33) SIGMAR1SMN1; SMN2HRH3HTTGAA
SCHEMBL25927715 0.75 BCHE (0.47) SMN1; SMN2KCNH2CACNA1IHTT
SCHEMBL14454184 0.74 DRD2 (0.35) EPHX1EPHX2SMN1; SMN2HRH3KDM4E

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
WO-2022192598-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2022-09-15 WO disclosed