SCHEMBL8315883

SCHEMBL8315883

O=C(Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cc1)C1CC=CCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR2 Q92731 1/20 0.45
HSD17B10 Q99714 1/20 0.45
AVPR2 P30518 4/20 0.43
AVPR1A P37288 4/20 0.43

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
SCHEMBL8944480 0.85 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8560154 0.82 MEN1 (0.51) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL8314472 0.80 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL8312897 0.78 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL5738340 0.76 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL7332351 0.76 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8316867 0.76 AVPR2 (0.52) AVPR2AVPR1A
SCHEMBL8312692 0.76 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL6624184 0.75 AVPR1A (0.51) KMT2AAVPR2AVPR1A
SCHEMBL7329926 0.75 AVPR1A (0.52) 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
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed