Sugi Predict

Sugi Predict / Compounds / SCHEMBL6373372

SCHEMBL6373372

SCHEMBL6373372

COc1ccc(S(=O)(=O)N2C(=O)C(c3ccccc3OC)(N3C[C@H](OCC(=O)OC(C)(C)C)C[C@H]3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AVPR1B P47901 20/20 0.77
▸ AVPR1A P37288 11/20 0.77
▸ OXTR P30559 11/20 0.77
▸ AVPR2 P30518 3/20 0.77
▸ GPR65 Q8IYL9 1/20 0.77

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
SCHEMBL5344527 0.92 AVPR1B (0.80) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5346504 0.91 AVPR1B (0.82) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL7399213 0.90 AVPR1B (0.87) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5352013 0.90 AVPR1B (0.87) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5338952 0.89 AVPR1B (0.81) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5338944 0.89 AVPR1B (0.81) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5347226 0.89 AVPR1B (0.73) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5347208 0.88 AVPR1B (0.73) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5348138 0.88 AVPR1B (0.83) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5348745 0.88 AVPR1B (0.83) AVPR1BAVPR1AOXTRAVPR2GPR65

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
US-20050165082-A1 Methods of treating vasomotor symptoms WYETH (US) 2005-07-28 — — US claimed
US-20050165082-A1 Methods of treating vasomotor symptoms WYETH (US) 2005-07-28 — — US disclosed