SCHEMBL11575203

SCHEMBL11575203

CC(=O)NC(C)CC(SC(CC(C)NC(C)=O)c1c[nH]cn1)c1c[nH]cn1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.35
MTNR1B P49286 9/20 0.35
ACACB O00763 10/20 0.32
ACACA Q13085 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
SCHEMBL24015835 0.76 ACACB (0.34) ACACBACACA
SCHEMBL13841351 0.72 MTNR1A (0.40) MTNR1AMTNR1BACACB
SCHEMBL15114724 0.72 MTNR1A (0.40) MTNR1AMTNR1BACACB
SCHEMBL14155806 0.70 MTNR1A (0.31) MTNR1AMTNR1B
SCHEMBL19959673 0.67
SCHEMBL11575192 0.67 TSHR (0.39) MTNR1AMTNR1B
SCHEMBL2937819 0.66 ADORA2A (0.32)
Hydrochloric Acid SCHEMBL1375002 0.65 POLB (0.33)
SCHEMBL27768915 0.65 AKR1B1 (0.30)
SCHEMBL28059879 0.65 AKR1B1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-53141271-A None JP disclosed
JP-S53141271-A HETEROCYCLIC COMPOUNDS AND PROCESS FOR THEIR PREPARATION YAMANOUCHI PHARMACEUT CO LTD 1978-12-08 JP disclosed