SCHEMBL8675730

SCHEMBL8675730

O=C(O)C=C1c2ccccc2N(C(=O)c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)CCC1(F)F

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 13/20 0.61
AVPR2 P30518 12/20 0.61
OXTR P30559 2/20 0.54
AVPR1B P47901 1/20 0.54
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL9028461 1.00 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1BLMNA
SCHEMBL9028332 0.89 AVPR1A (0.73) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8670855 0.89 AVPR1A (0.73) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028397 0.89 AVPR1A (0.73) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8672740 0.88 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9029202 0.88 AVPR1A (0.63) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8673890 0.88 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9028728 0.88 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8677658 0.88 AVPR1A (0.63) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL9029030 0.88 AVPR1A (0.61) AVPR1AAVPR2OXTRAVPR1B

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-5710150-A ARGININE VASOPRESSIN ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed