SCHEMBL28664674

SCHEMBL28664674

NCc1cccc(CCCCCCCN2CCC(OC(N)=O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 1/20 0.44
CHRM3 P20309 8/20 0.44

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
SCHEMBL26814047 0.76 KCNA3 (0.51) SIGMAR1
SCHEMBL28681273 0.76 CHRM3 (0.52) CHRM3
SCHEMBL3947610 0.75 CARM1 (0.52) SIGMAR1CHRM3
SCHEMBL28662442 0.73 CHRM3 (0.44) CHRM3
SCHEMBL5709503 0.73 DRD2 (0.61) SIGMAR1CHRM3
SCHEMBL28662777 0.72 TEAD3 (0.59) KDM4E
SCHEMBL10442916 0.72 GNAI3 (0.54) CHRM3
Biphenyl SCHEMBL1191470 0.71 CHRM3 (0.52) CHRM3
SCHEMBL186785 0.71 BCHE (0.67) SIGMAR1
SCHEMBL17967824 0.70 ALDH1A1 (0.53) KDM4ECHRM3

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-113784969-A PLK1 Selective degradation inducing Compounds 厄普特拉公司 2021-12-10 CN disclosed