SCHEMBL9518755

SCHEMBL9518755

COC(=O)c1c(-c2ccc(F)cc2)cn(C(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
HMGCR P04035 4/20 0.47
GCGR P47871 1/20 0.44
ABCB1 P08183 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.41
PTGS1 P23219 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GFER P55789 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CASP3 P42574 1/20 0.40

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
SCHEMBL9751015 0.76 MEN1 (0.61) SLC6A4SLC6A3HMGCRABCB1ALDH1A1
SCHEMBL28694855 0.76 ABCB1 (0.74) SLC6A4SLC6A3ABCB1ALDH1A1KDM4E
SCHEMBL28697576 0.74 ABCB1 (0.60) SLC6A4SLC6A3ABCB1ALDH1A1KDM4E
SCHEMBL28673292 0.74 AR (0.51) SLC6A4SLC6A3ALDH1A1KDM4EMEN1
SCHEMBL5731755 0.74 KDM4E (0.48) HMGCRGCGRALDH1A1KDM4EMEN1
SCHEMBL2260977 0.74 PTGS1 (0.45) SLC6A4SLC6A3GCGRALDH1A1KDM4E
SCHEMBL9751010 0.73 HMGCR (0.49) HMGCRABCB1ALDH1A1KDM4EMEN1
SCHEMBL9521360 0.73 HMGCR (0.57) HMGCRGCGR
SCHEMBL9750845 0.71 HMGCR (0.56) HMGCRABCB1ALDH1A1KMT2ALMNA
SCHEMBL10510636 0.71 HMGCR (0.40) SLC6A4SLC6A3HMGCRGCGRABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0300249-B1 7-[1H-pyrrol-3-yl]-substituted 3,5-dihydroxy-heptane acids, their corresponding delta-lactones and salts, processes for their manufacture, their use as medicines, pharmaceutical preparations and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-03 EP disclosed
US-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed
EP-0300249-A1 7-[1H-pyrrol-3-yl]-substituted 3,5-dihydroxy-heptane acids, their corresponding delta-lactones and salts, processes for their manufacture, their use as medicines, pharmaceutical preparations and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed