SCHEMBL7354543

SCHEMBL7354543

CC(C)NCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.57
AVPR1A P37288 3/20 0.46
OXTR P30559 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL7352446 0.87 AVPR2 (0.59) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL7383926 0.83 AVPR1A (0.49) AVPR2AVPR1AMEN1KMT2ALMNA
SCHEMBL7348955 0.81 AVPR2 (0.55) AVPR2AVPR1AMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7345867 0.81 AVPR1A (0.62) AVPR2AVPR1AOXTR
SCHEMBL4683205 0.79 AVPR2 (0.52) AVPR2AVPR1AMEN1KMT2ALMNA
SCHEMBL7357285 0.79 AVPR1A (0.50) AVPR2AVPR1AMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL7351822 0.76 AVPR2 (0.52) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL20407284 0.75 AVPR2 (0.71) AVPR2AVPR1AOXTRLMNATP53
SCHEMBL4681482 0.74 AVPR2 (0.45) AVPR2AVPR1AOXTR
SCHEMBL8827696 0.74 AVPR2 (0.49) 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
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed