SCHEMBL8169508

SCHEMBL8169508

Cc1ccc2c(C)cc(C)c(OCc3c(Cl)ccc(OCCN)c3Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
BDKRB2 P30411 7/20 0.39
S1PR4 O95977 4/20 0.38
KDM4E B2RXH2 4/20 0.37
HTT P42858 3/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8169656 0.86 BDKRB2 (0.41) TSHRBDKRB2S1PR4
SCHEMBL8169517 0.86 BDKRB2 (0.42) TSHRBDKRB2S1PR4
SCHEMBL8170198 0.78 BDKRB2 (0.44) BDKRB2
SCHEMBL8098948 0.78 BDKRB2 (0.61) BDKRB2KDM4EHTTKMT2A
SCHEMBL8098950 0.74 S1PR4 (0.37) BDKRB2S1PR4KDM4EALDH1A1
SCHEMBL8173952 0.68 BDKRB2 (0.63) BDKRB2KMT2A
SCHEMBL4370075 0.65 S1PR4 (0.57) S1PR4KDM4EKMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL1623536 0.64 S1PR4 (0.55) S1PR4KDM4EKMT2AHPGDALDH1A1
SCHEMBL8174118 0.63 BDKRB2 (0.58) BDKRB2KMT2A
SCHEMBL8367630 0.63 BDKRB2 (0.62) BDKRB2KMT2A

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