SCHEMBL9811546

SCHEMBL9811546

Clc1ccc(N(c2ccccc2)c2cccc3c2C(N(c2ccccc2)c2ccc(Cl)cc2)c2ccccc2-3)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.33
SLC22A2 O15244 1/20 0.31
SLC22A3 O75751 1/20 0.31

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
SCHEMBL9811554 0.92 GPR3 (0.39) GPR3SLC22A2SLC22A3
SCHEMBL9811560 0.81 GPR3 (0.34) GPR3
SCHEMBL9811591 0.81 CYP1A2 (0.31) GPR3
SCHEMBL8070100 0.72 GPR3 (0.40) GPR3SLC22A2SLC22A3
SCHEMBL1478412 0.72 GPR3 (0.54) GPR3SLC22A2SLC22A3
SCHEMBL21615043 0.70 CYP1A2 (0.45)
SCHEMBL14746024 0.69 GPR3 (0.40) GPR3SLC22A2SLC22A3
SCHEMBL20871593 0.67 CYP1A2 (0.52)
SCHEMBL6350639 0.66 ALDH1A1 (0.56)
SCHEMBL1133413 0.66 ALDH1A1 (0.56)

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-5034296-A Photoconductive imaging members with fluorene polyester hole transporting layers XEROX CORPORATION (US) 1991-07-23 US claimed