SCHEMBL8559415

SCHEMBL8559415

O=C(Nc1ccc(C(=O)N2Cc3ccccc3Cc3cc(Cl)ccc32)cc1)C1CC=CCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.49
AVPR1A P37288 9/20 0.49
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
CYP2C9 P11712 1/20 0.42
HSD17B3 P37058 1/20 0.41
MGLL Q99685 1/20 0.40

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
SCHEMBL8560154 0.90 MEN1 (0.51) AVPR2AVPR1AMEN1ALDH1A1MAPT
SCHEMBL8565959 0.87 AVPR2 (0.50) AVPR2AVPR1AALDH1A1MGLL
SCHEMBL8562554 0.79 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL8556841 0.79 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8561962 0.79 AVPR2 (0.58) AVPR2AVPR1A
SCHEMBL8559571 0.78 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL8558803 0.78 NAMPT (0.57) AVPR2AVPR1A
SCHEMBL8563337 0.77 AVPR2 (0.51) AVPR2AVPR1AHSD17B3
SCHEMBL8944480 0.76 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL8561780 0.76 AVPR2 (0.54) 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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed