SCHEMBL8169656

SCHEMBL8169656

Cc1ccc2ccc(C)c(OCc3c(Cl)ccc(OCCN)c3Cl)c2n1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 16/20 0.41
TSHR P16473 1/20 0.36
S1PR4 O95977 2/20 0.35

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
SCHEMBL8169508 0.86 TSHR (0.43) BDKRB2TSHRS1PR4
SCHEMBL8098948 0.84 BDKRB2 (0.61) BDKRB2
SCHEMBL8169517 0.84 BDKRB2 (0.42) BDKRB2TSHRS1PR4
SCHEMBL8098950 0.77 S1PR4 (0.37) BDKRB2S1PR4
SCHEMBL8171958 0.76 BDKRB2 (0.48) BDKRB2
SCHEMBL8173952 0.75 BDKRB2 (0.63) BDKRB2
SCHEMBL8367630 0.70 BDKRB2 (0.62) BDKRB2
SCHEMBL8174118 0.70 BDKRB2 (0.58) BDKRB2
SCHEMBL8097169 0.68 BDKRB2 (0.60) BDKRB2
SCHEMBL8175081 0.68 BDKRB2 (0.56) BDKRB2

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-6140341-A FOR TREATING PAIN HOECHST AKTIENGESELLSCHAFT (DE) 2000-10-31 US claimed