SCHEMBL5228829

SCHEMBL5228829

Cc1ccccc1C(NC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)C)C(=O)N1CCCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 14/20 0.60
AVPR1A P37288 2/20 0.38
OXTR P30559 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6001541 0.90 AVPR2 (0.61) AVPR2AVPR1AOXTRLMNA
SCHEMBL4195593 0.75 AVPR2 (1.00) AVPR2
SCHEMBL4868227 0.66 POLB (0.60) AVPR2AVPR1APRMT5WDR77POLB
SCHEMBL4932308 0.66 AVPR2 (0.78) AVPR2
SCHEMBL4195589 0.66 AVPR2 (1.00) AVPR2
Dimethylamine SCHEMBL5264112 0.65 AVPR2 (0.82) AVPR2
SCHEMBL14089573 0.63 MEN1 (0.62) AVPR2AVPR1AOXTRPOLBLMNA
SCHEMBL4863174 0.62 SMN1; SMN2 (0.67) AVPR2AVPR1AOXTRPOLBNPSR1
SCHEMBL4867294 0.62 NOTUM (0.62) AVPR2AVPR1AOXTRPOLBLMNA
SCHEMBL10421954 0.61 NPSR1 (0.71) POLBLMNANPSR1

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-1294698-B1 FUSED AZEPINE DERIVATIVES AND THEIR USE AS ANTIDIURETIC AGENTS FERRING BV (NL) 2007-08-01 EP disclosed