SCHEMBL8560154

SCHEMBL8560154

O=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1)C1CC=CCC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
ESR2 Q92731 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NAMPT P43490 1/20 0.46
AVPR2 P30518 4/20 0.46
AVPR1A P37288 4/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL8559415 0.90 AVPR2 (0.49) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL8944480 0.84 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8315883 0.82 MEN1 (0.45) MEN1ALDH1A1MAPTALOX15HTT
SCHEMBL8560873 0.77 ACHE (0.60) NAMPTAVPR2AVPR1A
SCHEMBL8565959 0.75 AVPR2 (0.50) ALDH1A1AVPR2AVPR1A
SCHEMBL8558993 0.74 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8556851 0.74 AVPR2 (0.58) MEN1KMT2AAVPR2AVPR1A
SCHEMBL8560660 0.73 NPC1 (0.54) NAMPTAVPR2AVPR1A
SCHEMBL7369344 0.73 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8563073 0.72 AVPR1A (0.51) NAMPTAVPR2AVPR1A

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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed