SCHEMBL9039742

SCHEMBL9039742

CCCN1CCN(C(=O)c2ccc(NC(=O)c3cccc(C)c3C)cc2)c2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 7/20 0.58
AVPR2 P30518 5/20 0.58
OXTR P30559 1/20 0.58

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
Hydrochloric Acid SCHEMBL7355557 0.99 AVPR1A (0.57) AVPR1AAVPR2OXTR
SCHEMBL7351922 0.93 AVPR1A (0.60) AVPR1AAVPR2OXTR
SCHEMBL7344384 0.88 AVPR1A (0.63) AVPR1AAVPR2OXTR
Hydrochloric Acid SCHEMBL7354212 0.87 AVPR1A (0.62) AVPR1AAVPR2OXTR
SCHEMBL7351861 0.82 AVPR2 (0.81) AVPR1AAVPR2OXTR
SCHEMBL7348553 0.81 AVPR1A (0.65) AVPR1AAVPR2OXTR
SCHEMBL7345440 0.81 AVPR1A (0.86) AVPR1AAVPR2OXTR
SCHEMBL7351890 0.81 AVPR1A (0.72) AVPR1AAVPR2OXTR
SCHEMBL7348365 0.80 AVPR1A (0.85) AVPR1AAVPR2OXTR
SCHEMBL8556275 0.80 AVPR2 (0.69) AVPR1AAVPR2OXTR

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-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed