Sugi Predict

Sugi Predict / Compounds / SCHEMBL6452207

SCHEMBL6452207

SCHEMBL6452207

COc1ccc([C@@H]2c3ccccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 19/20 1.00
▸ EDNRB P24530 18/20 1.00

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
SCHEMBL6452202 1.00 EDNRA (1.00) EDNRAEDNRB
SCHEMBL7538026 1.00 EDNRA (1.00) EDNRAEDNRB
SCHEMBL8202426 0.93 EDNRA (0.87) EDNRAEDNRB
SCHEMBL8202186 0.92 EDNRB (0.86) EDNRAEDNRB
SCHEMBL7533846 0.91 EDNRA (0.83) EDNRAEDNRB
SCHEMBL7942493 0.90 EDNRA (0.81) EDNRAEDNRB
SCHEMBL7561291 0.89 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7561279 0.89 EDNRB (1.00) EDNRAEDNRB
SCHEMBL8209842 0.89 EDNRB (1.00) EDNRAEDNRB
SCHEMBL7561284 0.89 EDNRB (1.00) EDNRAEDNRB

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-1517708-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2005-03-30 — — EP claimed
WO-2004000355-A1 COMBINATION TREATMENT FOR DEPRESSION AND ANXIETY BY NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-12-31 — — WO claimed