SCHEMBL19254715

SCHEMBL19254715

C=CCN1c2ccccc2CC1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.56
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRM1 P35372 1/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 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
SCHEMBL11349031 1.00 PRCP (0.56) PRCPCHRM2CHRM4CHRM1CHRM3
SCHEMBL185756 0.80 PRCP (0.42) PRCPCHRM2CHRM4CHRM1CHRM3
SCHEMBL8366931 0.79 CHRM2 (0.59) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11592688 0.78 PRCP (0.40) PRCPCHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL5367455 0.77 CHRM2 (0.57) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11995384 0.76 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL2632947 0.76 CHRM2 (0.52) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL11346041 0.75 CHRM2 (0.55) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL16685211 0.75 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3NOTUM
SCHEMBL21705292 0.75 CHRM2 (0.51) CHRM2CHRM4CHRM1CHRM3NOTUM

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-3205650-A1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2017-08-16 EP disclosed