SCHEMBL7300925

SCHEMBL7300925

COC(=O)C[N+](C)(C)CC(=O)NCC1(O)CC2CCC1(CS(=O)(=O)N1CCC3(C=Cc4ccccc43)CC1)C2(C)C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.68
OXTR P30559 1/20 0.68
AVPR1A P37288 1/20 0.68

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
SCHEMBL7300921 1.00 AVPR2 (0.68) AVPR2OXTRAVPR1A
SCHEMBL7330925 1.00 AVPR2 (0.68) AVPR2OXTRAVPR1A
SCHEMBL7380900 0.87 AVPR2 (0.83) AVPR2OXTRAVPR1A
SCHEMBL7329152 0.83 AVPR2 (0.72) AVPR2OXTRAVPR1A
SCHEMBL7293624 0.83 AVPR2 (0.72) AVPR2OXTRAVPR1A
SCHEMBL7292606 0.81 AVPR2 (0.74) AVPR2OXTRAVPR1A
SCHEMBL4957297 0.81 AVPR2 (1.00) AVPR2OXTRAVPR1A
SCHEMBL7302757 0.81 AVPR2 (1.00) AVPR2OXTRAVPR1A
SCHEMBL7301128 0.81 AVPR2 (0.84) AVPR2OXTRAVPR1A
SCHEMBL7381226 0.81 AVPR2 (0.84) AVPR2OXTRAVPR1A

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
WO-1995014025-A1 PIPERIDINYLCAMPHORSULFONYL OXYTOCIN ANTAGONISTS MERCK & CO., INC. (US) 1995-05-26 WO disclosed
EP-0486280-A2 Piperidinylcamphorsulfonyl oxytocin antagonists MERCK & CO. INC. (US) 1992-05-20 EP disclosed