SCHEMBL13337947

SCHEMBL13337947

CNC(=O)C(CCCN=C(N)N)NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.64
▸ CHRM4 P08173 2/20 0.64
▸ CHRM1 P11229 2/20 0.64
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ SIRT5 Q9NXA8 1/20 0.50
▸ NPY1R P25929 6/20 0.48
▸ NPY5R Q15761 3/20 0.48
▸ F2 P00734 1/20 0.48
▸ CYP1A2 P05177 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NOS2 P35228 1/20 0.45
▸ FURIN P09958 5/20 0.43
▸ PCSK6 P29122 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.42
▸ NPY4R P50391 2/20 0.42

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
SCHEMBL29546257 1.00 CHRM2 (0.64) CHRM2CHRM4CHRM1CA1CA2
SCHEMBL29393341 0.86 SIRT5 (0.64) CHRM2CHRM4CHRM1CA1CA2
SCHEMBL14117893 0.85 CHRM2 (0.69) CHRM2CHRM4CHRM1CA1CA2
SCHEMBL16748402 0.83 CHRM2 (0.68) CHRM2CHRM4CHRM1CA1CA2
SCHEMBL29521677 0.83 CHRM2 (0.68) CHRM2CHRM4CHRM1CA1CA2
Water SCHEMBL30600465 0.82 CHRM2 (0.66) CHRM2CHRM4CHRM1CA1CA2
SCHEMBL22493159 0.81 BMP1 (0.47) CHRM2CHRM4CHRM1CA1CA2
SCHEMBL13698293 0.80 SIRT6 (0.55) CHRM2CHRM4CHRM1CA1CA2
SCHEMBL30080701 0.79 CHRM2 (0.58) CHRM2CHRM4CHRM1CA1CA2
SCHEMBL29595648 0.79 FURIN (0.56) CHRM2CHRM4CHRM1CA1CA2

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-20100121105-A1 Composition and Method of synthesizing a biomolecule and its therapeutics applications BAKHTIARI MEHDI 2010-05-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100121105-A1 Composition and Method of synthesizing a biomolecule and its therapeutics applications GHRHR, GHSR, IGF1R CHRM2 3209/4885CHRM4 3790/4885CHRM1 3128/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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