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SCHEMBL6475978

SCHEMBL6475978

COc1cc(C2=CCCCC2)c(Cl)cc1C(=O)N1Cc2ccc(C(=O)N(C)C[C@@H]3OC(=O)O[C@H]3[C@H](O)[C@H]3COC(=O)O3)n2Cc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 11/20 0.33
▸ AVPR1A P37288 1/20 0.30

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
SCHEMBL6487434 0.86 AVPR1A (0.34) AVPR2AVPR1A
SCHEMBL6475611 0.81 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL5106745 0.80 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL5104645 0.77 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL6476400 0.77 AVPR2 (0.36) AVPR2AVPR1A
SCHEMBL6207696 0.77 PDK1 (0.39) AVPR2AVPR1A
Cadaverine Tartrate SCHEMBL6235311 0.76 AVPR2 (0.37) AVPR2AVPR1A
Citric Acid SCHEMBL5120144 0.75 AVPR2 (0.44) AVPR2AVPR1A
SCHEMBL6629386 0.73 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL6190961 0.72 AVPR2 (0.40) AVPR2AVPR1A

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