Sugi Predict

Sugi Predict / Compounds / SCHEMBL7301166

SCHEMBL7301166

SCHEMBL7301166

N[C@@H]1c2ccccc2[C@H](NC(=O)[C@H](Cc2ccccc2)CC(O)C[C@@H](Cc2ccccc2)C(=O)N[C@H]2c3ccccc3[C@@H](N)[C@H]2O)[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ VIPR2 P41587 18/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL7301170 1.00 VIPR2 (0.48) VIPR2KDM4EMAPT
SCHEMBL7299000 0.88 VIPR2 (0.48) VIPR2
SCHEMBL7292111 0.86 VIPR2 (0.46) VIPR2MAPT
SCHEMBL7300250 0.78 VIPR2 (0.70) VIPR2
SCHEMBL7300253 0.78 VIPR2 (0.70) VIPR2
SCHEMBL7292284 0.76 VIPR2 (0.46) VIPR2KDM4EMAPT
SCHEMBL7292278 0.76 VIPR2 (0.46) VIPR2KDM4EMAPT
SCHEMBL6466122 0.74 VIPR2 (0.69) VIPR2
SCHEMBL15713420 0.74 VIPR2 (0.66) VIPR2
SCHEMBL15714613 0.74 VIPR2 (0.66) VIPR2

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-0480714-A2 HIV protease inhibitors having symmetrical structure MERCK & CO. INC. (US) 1992-04-15 — — EP claimed