SCHEMBL21733182

SCHEMBL21733182

SN1CCc2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
AKT1 P31749 1/20 0.32
KCNQ2 O43526 1/20 0.31
TSHR P16473 1/20 0.31
CYP19A1 P11511 1/20 0.30
EPHX2 P34913 1/20 0.30
HTR7 P34969 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GRM5 P41594 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
SCHEMBL20178670 0.89 CYP19A1 (0.35) HTR2AHTR2CSLC6A4GAAHTT
SCHEMBL256338 0.76 GRM5 (0.38) HTR2AHTR2CSLC6A4GAAHTT
SCHEMBL27305311 0.76 GAA (0.37) HTR2AHTR2CSLC6A4GAAHTT
SCHEMBL12905337 0.73 SMN1; SMN2 (0.34) HTR2AHTR2CSLC6A4KDM4EKCNQ2
SCHEMBL24729069 0.72 HTR2C (0.32) HTR2AHTR2CSLC6A4GAAHTT
SCHEMBL6124130 0.72 GRM5 (0.42) HTR2AHTR2CKDM4ESMN1; SMN2GRM5
SCHEMBL14279926 0.72 KCNQ2 (0.36) HTR2AHTR2CSLC6A4GAAHTT
SCHEMBL13082704 0.72 GRIA2 (0.44) MAPTAKT1KCNQ2POLBSMN1; SMN2
SCHEMBL288069 0.71 AKT1 (0.44) HTR2CMAPTAKT1TSHRPOLB
SCHEMBL31396101 0.69 CYP11B1 (0.47) MAPTTSHRPOLB

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
EP-3402797-B1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2020-02-19 EP disclosed