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Sugi Predict / Compounds / SCHEMBL6629386

SCHEMBL6629386

SCHEMBL6629386

COc1cc(C2=CCCCC2)c(Cl)cc1C(=O)N1Cc2ccc(C(=O)O)n2Cc2ccccc21.COc1cc(C2=CCCCC2)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 18/20 0.46
▸ AVPR1A P37288 8/20 0.46
▸ OXTR P30559 2/20 0.44

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
SCHEMBL5104645 0.94 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL5115638 0.92 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6190961 0.84 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL5106745 0.81 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL5784812 0.81 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL6475611 0.80 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL5110371 0.79 AVPR2 (0.39) AVPR2
SCHEMBL5835691 0.79 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6207696 0.78 PDK1 (0.39) AVPR2AVPR1A
SCHEMBL5786363 0.78 AVPR2 (0.55) AVPR2AVPR1AOXTR

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-1381607-A1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPINE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-21 — — EP disclosed
WO-2002083684-A1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPI NE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 — — WO disclosed