SCHEMBL6645337

SCHEMBL6645337

COC(=O)CCC(=O)[AsH]Cc1ccc(C(=O)N2CCCCc3sccc32)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.52
OXTR P30559 9/20 0.52
AVPR1A P37288 9/20 0.47
AVPR1B P47901 7/20 0.47

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
SCHEMBL5229038 0.87 AVPR2 (0.60) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202224 0.79 AVPR1A (0.54) AVPR2OXTRAVPR1AAVPR1B
Hydrochloric Acid SCHEMBL5232996 0.78 AVPR1A (0.53) AVPR2OXTRAVPR1AAVPR1B
Hydrochloric Acid SCHEMBL5236127 0.77 AVPR2 (0.56) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6203674 0.73 AVPR2 (0.82) AVPR2OXTR
SCHEMBL6202959 0.73 AVPR2 (0.82) AVPR2OXTR
SCHEMBL6203139 0.73 AVPR2 (0.81) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL6202640 0.73 AVPR2 (0.81) AVPR2OXTRAVPR1AAVPR1B
SCHEMBL5232081 0.73 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL5228620 0.72 AVPR2 (0.61) AVPR2OXTRAVPR1AAVPR1B

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
EP-1226122-B1 BICYCLIC VASOPRESSIN AGONISTS FERRING BV (NL) 2004-12-15 EP disclosed