SCHEMBL8961679

SCHEMBL8961679

CCOC(=O)CON=C1CCCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.64
AVPR1A P37288 6/20 0.52
OXTR P30559 1/20 0.52
AVPR1B P47901 2/20 0.49

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
SCHEMBL8961678 1.00 AVPR2 (0.64) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL9414268 0.92 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961740 0.92 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961671 0.88 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961674 0.88 AVPR2 (0.61) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL7080843 0.81 AVPR2 (0.47) AVPR2AVPR1AOXTR
SCHEMBL7080842 0.81 AVPR2 (0.47) AVPR2AVPR1AOXTR
SCHEMBL6963125 0.81 AVPR2 (0.69) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6989484 0.81 AVPR2 (0.70) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961694 0.80 AVPR2 (0.72) AVPR2AVPR1AOXTRAVPR1B

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-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed