SCHEMBL9304524

SCHEMBL9304524

C1=C(CCCN2CCOCC2)c2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45
USP2 O75604 1/20 0.44
CNR1 P21554 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
KDM1A O60341 2/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
HTR6 P50406 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
SCHEMBL9304462 0.93 CNR1 (0.50) SIGMAR1POLBCNR1CHRM2CHRM4
SCHEMBL11620971 0.87 SIGMAR1 (0.54) SIGMAR1HTR6
SCHEMBL11542289 0.85 SIGMAR1 (0.53) SIGMAR1KMT2AKDM4E
SCHEMBL13297902 0.79 SLC6A3 (0.50) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3868123 0.78 HTR6 (0.53) SIGMAR1KDM4EHTR6
SCHEMBL3874874 0.78 HTR6 (0.53) SIGMAR1KDM4EHTR6
SCHEMBL11542316 0.77 SIGMAR1 (0.51) SIGMAR1CHRM2CHRM4CHRM5CHRM1
SCHEMBL11541639 0.77 SIGMAR1 (0.48) SIGMAR1
SCHEMBL31121639 0.74 HTR6 (0.56) SIGMAR1HTR6
SCHEMBL2338975 0.74 HTR6 (0.56) SIGMAR1HTR6

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
US-5292736-A Morpholinoalkylindenes as antiglaucoma agents STERLING WINTHROP INC. (US) 1994-03-08 US disclosed