SCHEMBL8070508

SCHEMBL8070508

COC(=O)c1cc(I)c(Oc2ccc(CCN(C)C)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.39
HRH3 Q9Y5N1 3/20 0.39
LPAR5 Q9H1C0 1/20 0.39
FFAR1 O14842 1/20 0.38
HTR2A P28223 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1E P28566 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
HTR6 P50406 1/20 0.37
LPAR3 Q9UBY5 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL8068838 0.84 ALDH1A1 (0.41) LPAR1HRH3LPAR5FFAR1LMNA
SCHEMBL8070159 0.84 FFAR1 (0.42) LPAR1HRH3LPAR5FFAR1MAPT
SCHEMBL8059451 0.83 LMNA (0.38) LPAR1HRH3LPAR5FFAR1HTR2A
SCHEMBL8059454 0.83 HTR2A (0.38) LPAR1HRH3LPAR5FFAR1HTR2A
SCHEMBL8331820 0.72 GAA (0.53) MAPTRAB9ASMN1; SMN2LMNAHPGD
SCHEMBL8073466 0.72 BMP1 (0.40) LPAR1HRH3LPAR5SLC6A4
SCHEMBL7347897 0.70 SIGMAR1 (0.43) NPC1MAPTCASP3RAB9ASMN1; SMN2
SCHEMBL7942139 0.69 ALDH1A1 (0.55) FFAR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL8068459 0.69 SCN9A (0.36) LPAR1LPAR5HTR2ASMN1; SMN2LMNA
SCHEMBL8068627 0.69 LPAR1 (0.48) LPAR1LPAR5FFAR1MAPTHPGD

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-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed