SCHEMBL12443455

SCHEMBL12443455

CC(=O)N(CCC#N)CC1CCCO1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ OXTR P30559 8/20 0.40
▸ AVPR1A P37288 6/20 0.40
▸ KMT2A Q03164 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ AVPR2 P30518 1/20 0.36
▸ AVPR1B P47901 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
SCHEMBL13612605 0.86 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DOXTR
SCHEMBL13605180 0.85 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DOXTR
SCHEMBL16518373 0.77 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DOXTR
SCHEMBL16316832 0.77 OXTR (0.38) OXTRAVPR1AKMT2AKDM4EALDH1A1
SCHEMBL65381 0.77 ALDH1A1 (0.49) PDE4APDE4BPDE4CPDE4DOXTR
SCHEMBL17518855 0.76 OXTR (0.50) OXTRAVPR1AKMT2AALDH1A1GAA
SCHEMBL19724710 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DOXTR
SCHEMBL19724903 0.74 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DOXTR
SCHEMBL1344184 0.72 ALDH1A1 (0.44) KMT2AALDH1A1LMNAPOLB
SCHEMBL14276878 0.72 NAMPT (0.45) KMT2AKDM4EALDH1A1ALOX15HSD17B10

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-2190836-B1 2-HETEROARYLAMINO-PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS IRM LLC (BM) 2011-08-17 — — EP disclosed
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