SCHEMBL8070159

SCHEMBL8070159

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 0.41
SCN9A Q15858 3/20 0.40
MRGPRX4 Q96LA9 2/20 0.37
LMNA P02545 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
PDGFRA P16234 1/20 0.37
DDR1 Q08345 1/20 0.37
KMT2A Q03164 2/20 0.36
RAF1 P04049 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL8070202 0.84 SCN9A (0.39) FFAR1LPAR1LPAR5SCN9ALMNA
SCHEMBL8075014 0.84 FFAR1 (0.39) FFAR1LPAR1LPAR5SCN9ATHRA
SCHEMBL8070508 0.84 LPAR1 (0.39) FFAR1LPAR1LPAR5LMNAKMT2A
SCHEMBL8068627 0.82 LPAR1 (0.48) FFAR1LPAR1LPAR5SCN9AMRGPRX4
SCHEMBL8068838 0.81 ALDH1A1 (0.41) FFAR1LPAR1LPAR5SCN9ALMNA
SCHEMBL8333315 0.74 GAA (0.49) MRGPRX4LMNAKMT2AMEN1MAPT
SCHEMBL7953912 0.71 MRGPRX4 (0.56) MRGPRX4LMNA
SCHEMBL8074970 0.71 SLC6A2 (0.45) FFAR1LPAR1LPAR5SCN9ATHRA
SCHEMBL8075018 0.71 SLC6A2 (0.43) FFAR1LPAR1LPAR5SCN9ATHRA
Hydrochloric Acid SCHEMBL8070331 0.70 SLC6A2 (0.44) FFAR1LPAR1LPAR5SCN9ATHRA

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