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Proline

Proline

SCHEMBL22115665

N#Cc1ccc(C2(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(C2CC2)cc1.O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Proline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC5A2 known ✓ P31639 19/20 0.39
▸ SLC5A1 P13866 14/20 0.39
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 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
Proline SCHEMBL18546649 1.00 SLC5A2 (0.39) SLC5A2SLC5A1HTR2CHTR2B
Proline SCHEMBL23000712 1.00 SLC5A2 (0.39) SLC5A2SLC5A1HTR2CHTR2B
Proline SCHEMBL22115662 1.00 SLC5A2 (0.39) SLC5A2SLC5A1HTR2CHTR2B
Proline SCHEMBL23326612 1.00 SLC5A2 (0.39) SLC5A2SLC5A1HTR2CHTR2B
SCHEMBL29518172 0.88 SLC5A2 (0.48) SLC5A2SLC5A1
SCHEMBL1146842 0.88 SLC5A2 (0.48) SLC5A2SLC5A1
SCHEMBL15559156 0.88 SLC5A2 (0.48) SLC5A2SLC5A1
SCHEMBL15551748 0.88 SLC5A2 (0.48) SLC5A2SLC5A1
SCHEMBL2861047 0.87 SLC5A2 (0.45) SLC5A2SLC5A1
SCHEMBL27752474 0.87 SLC5A2 (0.45) SLC5A2SLC5A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668846-A1 SYNTHESIS OF THE 1 :1 :1 CO-CRYSTAL OF 1 -CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(BETA-D-GLUCOPYRANOS-1 -YL)-BENZENE, L-PROLINE AND WATER Boehringer Ingelheim Vetmedica GmbH (DE) 2020-06-24 — — EP claimed
EP-3668846-A1 SYNTHESIS OF THE 1 :1 :1 CO-CRYSTAL OF 1 -CYANO-2-(4-CYCLOPROPYL-BENZYL)-4-(BETA-D-GLUCOPYRANOS-1 -YL)-BENZENE, L-PROLINE AND WATER Boehringer Ingelheim Vetmedica GmbH (DE) 2020-06-24 — — EP disclosed