SCHEMBL9746209

SCHEMBL9746209

CC(C)C[C@H](NC(=O)[C@@H]1CCC(O)C1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ CAPN1 P07384 6/20 0.46
▸ CTSB P07858 1/20 0.45
▸ TSHR P16473 1/20 0.41
▸ STAT3 P40763 4/20 0.40
▸ TRHR P34981 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
SCHEMBL7271564 0.81 TRHR (0.47) KMT2ACAPN1CTSBSTAT3TRHR
SCHEMBL9746806 0.81 ACE (0.55) TRHR
SCHEMBL7430679 0.80 TRHR (0.46) KMT2ACAPN1CTSBTRHR
SCHEMBL1371608 0.76 TRHR (0.66) TRHR
SCHEMBL27830909 0.76 TRHR (0.66) TRHR
SCHEMBL11166889 0.76 TRHR (0.44) CAPN1CTSBSTAT3TRHR
SCHEMBL11182741 0.76 TRHR (0.66) TRHR
SCHEMBL11331704 0.76 TRHR (0.66) TRHR
SCHEMBL7273522 0.76 CAPN1 (0.44) KMT2ACAPN1CTSBSTAT3TRHR
SCHEMBL11179550 0.76 TRHR (0.66) TRHR

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-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 — — US claimed
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