SCHEMBL6475968

SCHEMBL6475968

Cc1cc(C(=O)N2Cc3ccc(C(=O)N(CCO)CCO)n3Cc3ccccc32)ccc1C1=CCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.40
AVPR2 P30518 15/20 0.39
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL5117110 0.87 AVPR2 (0.47) AVPR1AAVPR2
SCHEMBL5428068 0.84 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL5111755 0.83 AVPR2 (0.51) AVPR1AAVPR2
SCHEMBL5110450 0.81 AVPR2 (0.42) AVPR1AAVPR2
SCHEMBL6210294 0.80 AVPR1A (0.41) AVPR1AAVPR2
SCHEMBL5118045 0.78 AVPR1A (0.62) AVPR1AAVPR2
SCHEMBL6483323 0.76 AVPR1A (0.49) AVPR1AAVPR2
SCHEMBL5835151 0.76 AVPR1A (0.42) AVPR1AAVPR2
SCHEMBL5787330 0.75 AVPR1A (0.47) AVPR1AAVPR2
SCHEMBL6628771 0.75 AVPR2 (0.58) 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 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