Phenethylamine

Phenethylamine

SCHEMBL25410064

CNC(CCCNC(=N)N)C(=O)O.NCCc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ C3AR1 Q16581 1/20 0.40
▸ GGT1 P19440 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ ITGB3 P05106 2/20 0.39

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
Phenylalanine Amide SCHEMBL7529465 0.84 NPY4R (0.46) PKM
SCHEMBL17769024 0.83 FOLH1 (0.38) KMT2AC3AR1ITGB3ITGA2BCYP1A2
SCHEMBL93472 0.83 FOLH1 (0.38) KMT2AC3AR1ITGB3ITGA2BCYP1A2
SCHEMBL93473 0.83 FOLH1 (0.38) KMT2AC3AR1ITGB3ITGA2BCYP1A2
SCHEMBL162756 0.83 FOLH1 (0.38) KMT2AC3AR1ITGB3ITGA2BCYP1A2
SCHEMBL8733025 0.82 PAOX (0.41) TLR2KMT2AITGB3ITGA2BCPB2
Hydrochloric Acid SCHEMBL974818 0.82 FOLH1 (0.37) KMT2AC3AR1ITGB3ITGA2BCYP1A2
Hydrochloric Acid SCHEMBL1578565 0.82 FOLH1 (0.37) KMT2AC3AR1ITGB3ITGA2BCYP1A2
Hydrochloric Acid SCHEMBL7367067 0.82 FOLH1 (0.37) KMT2AC3AR1ITGB3ITGA2BCYP1A2
SCHEMBL21722102 0.81 GGT1 (0.61) KMT2ACYP2C9CYP2C19CYP2D6C3AR1

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
EP-4216726-A1 PROBIOTIC BACILLUS COMPOSITIONS AND METHODS OF USE Biomedit, LLC (US) 2023-08-02 — — EP disclosed
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