SCHEMBL8944367

SCHEMBL8944367

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)cc1)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.62
AVPR1A P37288 5/20 0.62

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
SCHEMBL8944480 0.87 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8944376 0.85 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL7334822 0.85 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8317927 0.83 TSHR (0.45) AVPR2AVPR1A
SCHEMBL5118219 0.82 AVPR1A (0.68) AVPR2AVPR1A
SCHEMBL7338055 0.81 AVPR2 (0.66) AVPR2AVPR1A
SCHEMBL7339819 0.80 AVPR1A (0.60) AVPR2AVPR1A
SCHEMBL8318280 0.80 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL7334123 0.80 AVPR2 (0.82) AVPR2AVPR1A
SCHEMBL13403212 0.79 AVPR1A (0.85) AVPR2AVPR1A

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-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US claimed