SCHEMBL5239153

SCHEMBL5239153

Nc1ccc(C(=O)N2Cc3sccc3Cc3ncccc32)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.45
AVPR1A P37288 5/20 0.44
HSP90AA1 P07900 1/20 0.34
JAK2 O60674 1/20 0.34
TYK2 P29597 1/20 0.34
OXTR P30559 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
GRM4 Q14833 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
SCHEMBL5237417 0.93 AVPR2 (0.41) AVPR2AVPR1AJAK2TYK2OXTR
SCHEMBL7318351 0.85 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL7321300 0.78 TP53 (0.42) AVPR2AVPR1A
SCHEMBL7320771 0.77 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL5235714 0.76 AVPR2 (0.50) AVPR2AVPR1AOXTRGPBAR1
SCHEMBL8561766 0.72 HSD17B3 (0.50) AVPR2AVPR1A
SCHEMBL7333775 0.68 AVPR2 (0.50) AVPR2AVPR1AOXTR
SCHEMBL6988374 0.68 AVPR1A (0.58) AVPR2AVPR1A
SCHEMBL7337401 0.67 MEN1 (0.45) AVPR2
SCHEMBL7345789 0.67 AVPR2 (0.50) AVPR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 US disclosed