SCHEMBL10796719

SCHEMBL10796719

COc1ccc2c(c1)C(c1cccc(SC)c1)CN(C(C)=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 9/20 0.47
▸ KIF11 P52732 1/20 0.45
▸ MTNR1A P48039 5/20 0.43
▸ SLC6A4 P31645 4/20 0.43
▸ SLC6A2 P23975 3/20 0.43
▸ SLC6A3 Q01959 3/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ NOTUM Q6P988 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PTAFR P25105 1/20 0.38
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38

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
SCHEMBL10345414 0.86 SLC6A2 (0.58) MTNR1BKIF11MTNR1ASLC6A4SLC6A2
SCHEMBL10345415 0.83 MTNR1B (0.47) MTNR1BKIF11MTNR1ASLC6A4SLC6A2
SCHEMBL10720684 0.76 MTNR1B (0.47) MTNR1BMTNR1ANOTUM
SCHEMBL10345417 0.75 MTNR1B (0.51) MTNR1BMTNR1ATAS2R14NOTUMESR1
SCHEMBL10345842 0.75 HTR2C (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL18085053 0.74 SLC6A2 (0.54) MTNR1BMTNR1ASLC6A4SLC6A2SLC6A3
SCHEMBL18085044 0.74 SLC6A2 (0.54) MTNR1BMTNR1ASLC6A4SLC6A2SLC6A3
SCHEMBL10749624 0.71 CYP3A4 (0.38) KIF11
SCHEMBL7624331 0.70 SLC6A2 (0.51) MTNR1BMTNR1ASLC6A4SLC6A2SLC6A3
SCHEMBL18085075 0.69 MTNR1B (0.44) MTNR1BMTNR1ASLC6A4SLC6A2SLC6A3

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-4707483-A 1-phenyl-3-benzazepines and their use for treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 — — US disclosed
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