SCHEMBL31198211

SCHEMBL31198211

N=C(N)NCCC[C@@H](N)C(=O)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.40
▸ OTC P00480 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DDAH1 O94760 1/20 0.37
▸ NPY4R P50391 8/20 0.37
▸ NPY1R P25929 5/20 0.37
▸ NPY2R P49146 4/20 0.37
▸ NPY5R Q15761 4/20 0.37
▸ GNAI3 P08754 1/20 0.35
▸ GNAO1 P09471 1/20 0.35
▸ GNAI1 P63096 1/20 0.35
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ RRM1 P23921 1/20 0.33

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
SCHEMBL10483768 1.00 DPP7 (0.40) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL29808715 0.95 DPP7 (0.42) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL304115 0.85 DPP7 (0.42) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL30256813 0.85 DPP7 (0.42) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL29357079 0.85 DPP7 (0.42) DPP7OTCCYP1A2DDAH1GNAI3
SCHEMBL5158398 0.85 DPP7 (0.42) DPP7OTCALOX15MEN1CYP1A2
SCHEMBL598710 0.85 DPP7 (0.42) DPP7OTCALOX15MEN1CYP1A2
Arginine SCHEMBL8522531 0.84 OTC (0.53) OTCALOX15MEN1CYP1A2KMT2A
Bromide SCHEMBL9279144 0.83 DPP7 (0.41) DPP7OTCALOX15MEN1CYP1A2
Arginine SCHEMBL6374054 0.83 OTC (0.56) OTCALOX15MEN1CYP1A2KMT2A

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
CN-118948642-A Pharmaceutical composition for preventing caries, promoting remineralization and inhibiting microbial corrosion of implant 东北大学 2024-11-15 — — CN disclosed
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