Sugi Predict

Sugi Predict / Compounds / SCHEMBL6486795

SCHEMBL6486795

SCHEMBL6486795

Cc1cc(C(=O)N2Cc3ccc(C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)n3Cc3ccccc32)ccc1C1=CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 4/20 0.40
▸ AVPR2 P30518 15/20 0.37

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
SCHEMBL6484329 0.88 AVPR1A (0.37) AVPR1AAVPR2
SCHEMBL6484005 0.85 AVPR2 (0.46) AVPR1AAVPR2
SCHEMBL6484499 0.84 AVPR1A (0.38) AVPR1AAVPR2
SCHEMBL6486438 0.83 AVPR1A (0.37) AVPR1AAVPR2
SCHEMBL5105940 0.82 AVPR2 (0.47) AVPR1AAVPR2
SCHEMBL6476096 0.80 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL6475869 0.80 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL5108897 0.80 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL6489962 0.79 AVPR2 (0.42) AVPR1AAVPR2
SCHEMBL6486141 0.79 AVPR2 (0.42) AVPR1AAVPR2

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
US-6977254-B2 Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2005-12-20 — — US disclosed