SCHEMBL29758705

SCHEMBL29758705

NC(=O)C1c2ccccc2CN1C(=O)C1CCOC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.43
RIPK1 Q13546 1/20 0.41
RORC P51449 2/20 0.40
ACE P12821 3/20 0.39
GRM5 P41594 1/20 0.38
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36

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
SCHEMBL6120877 0.76 ACE (0.49) ACEOXTRAVPR1A
SCHEMBL6972439 0.75 RORC (0.34) NAMPTRIPK1RORCGRM5
SCHEMBL19960681 0.72 F11 (0.55) ACE
SCHEMBL29758654 0.70 HSP90AA1 (0.46) ACEOXTRAVPR1A
SCHEMBL18986869 0.70 RORC (0.48) RORCACE
SCHEMBL4553795 0.69 NAMPT (0.44) NAMPTRIPK1GRM5
SCHEMBL6251794 0.68 MEN1 (0.44) NAMPTACEOXTRAVPR1A
SCHEMBL29897757 0.66 ACE (0.54) ACE
SCHEMBL28841911 0.66 ACE (0.54) ACE
SCHEMBL28841912 0.66 ACE (0.54) ACE

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-3390396-B1 ISOINDOLE COMPOUNDS ASTRAZENECA AB (SE) 2022-07-06 EP disclosed