SCHEMBL8075014

SCHEMBL8075014

CN(C)CCc1ccc(Oc2cc(Cl)c(C(=O)N=C(N)N)cc2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR5 Q9H1C0 2/20 0.39
SLC9A1 P19634 3/20 0.38
SLC6A4 P31645 2/20 0.36
HTR2A P28223 1/20 0.36
SCN9A Q15858 2/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KCNH2 Q12809 2/20 0.35
MC4R P32245 1/20 0.35
SLC6A2 P23975 1/20 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
SCHEMBL8059454 0.85 HTR2A (0.38) FFAR1LPAR1LPAR5SLC6A4HTR2A
SCHEMBL8070159 0.84 FFAR1 (0.42) FFAR1LPAR1LPAR5SLC6A4SCN9A
SCHEMBL8070202 0.83 SCN9A (0.39) FFAR1LPAR1LPAR5SLC6A4HTR2A
SCHEMBL8068470 0.83
SCHEMBL8428714 0.75 SLC9A1 (0.51) SLC9A1KCNH2MC4R
Hydrochloric Acid SCHEMBL8335179 0.74 SLC9A1 (0.50) SLC9A1KCNH2MC4R
Hydrochloric Acid SCHEMBL8655510 0.72 SLC9A1 (0.43) SLC9A1KCNH2MC4R
SCHEMBL7791856 0.72 MRGPRX4 (0.48)
SCHEMBL8075018 0.72 SLC6A2 (0.43) FFAR1LPAR1LPAR5SLC6A4SCN9A
Hydrochloric Acid SCHEMBL8073478 0.71 SLC9A1 (0.52) SLC9A1

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