SCHEMBL8059451

SCHEMBL8059451

CN(C)CCc1ccc(Oc2cc(Cl)c(C(=O)NC(=N)N)cc2I)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
FFAR1 O14842 1/20 0.34
ACACB O00763 1/20 0.34
NR4A2 P43354 3/20 0.34
TAAR5 O14804 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
GCGR P47871 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL8068459 0.86 SCN9A (0.36) LMNAMAPK1HTR2ASLC6A4LPAR1
SCHEMBL8070202 0.86 SCN9A (0.39) LMNAMAPK1HTR2ASLC6A4LPAR1
SCHEMBL8070508 0.83 LPAR1 (0.39) LMNAHTR2ASLC6A4LPAR1LPAR5
SCHEMBL8059454 0.82 HTR2A (0.38) HTR2ASLC6A4LPAR1LPAR5HRH3
SCHEMBL8059455 0.74 HRH3 (0.40) HTR2ASLC6A4HRH3TAAR5TAAR1
Hydrochloric Acid SCHEMBL8073473 0.74 THRA (0.36) LPAR1LPAR5
SCHEMBL8074970 0.72 SLC6A2 (0.45) SLC6A4LPAR1LPAR5HRH3FFAR1
SCHEMBL8059397 0.72 THRA (0.42) LMNASLC6A4HRH3
Hydrochloric Acid SCHEMBL8070331 0.72 SLC6A2 (0.44) SLC6A4LPAR1LPAR5HRH3FFAR1
SCHEMBL8059495 0.72 THRA (0.41) LMNASLC6A4HRH3

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