SCHEMBL29131652

SCHEMBL29131652

C[C@H](N)C(=O)Oc1ccc(C(=O)[C@@H]2CCCN2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
DPP4 P27487 6/20 0.40
HRH2 P25021 3/20 0.40
HRH1 P35367 3/20 0.40
HTR2C P28335 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
SCN4A P35499 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
Proline SCHEMBL7423648 0.82 DPP4 (0.41) DPP4HTR2CDPP8SCN4A
SCHEMBL29131638 0.81 CTSC (0.46) ELANEDPP4HRH2HRH1HTR2C
SCHEMBL20524463 0.79 NPC1 (0.54) DPP4HRH2HRH1
SCHEMBL28322880 0.74 MEN1 (0.54) ELANESCN4A
SCHEMBL23493150 0.73 ELANE (0.55) ELANE
SCHEMBL15679080 0.73 ELANE (0.55) ELANE
Leucine SCHEMBL6139261 0.73 GHSR (0.35) DPP4HTR2CDPP8
SCHEMBL27623273 0.73 ELANE (0.43) ELANEHRH2HRH1HTR2CSCN4A
Hydrochloric Acid SCHEMBL30184762 0.72 ELANE (0.53) ELANE
SCHEMBL18589371 0.71 MGLL (0.44) ELANEHTR2C

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-117269494-A A group of metabolic markers for breast cancer lung metastasis 厦门大学 2023-12-22 CN disclosed