SCHEMBL28057384

SCHEMBL28057384

O=CN1C=Cc2ncccc2C1.[H+]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL28057297 0.98 PTAFR (0.31) PTAFRTRIM24TRIM33
SCHEMBL12671542 0.74 CHRM2 (0.35)
SCHEMBL7945184 0.72 KDM4E (0.33)
SCHEMBL990793 0.72 HDAC3 (0.38)
SCHEMBL21465809 0.71 PARP1 (0.36)
Hydrochloric Acid SCHEMBL28318712 0.70 HDAC3 (0.38)
SCHEMBL23666018 0.70 LMNA (0.32)
SCHEMBL27678947 0.67 CRBN (0.30)
SCHEMBL28319875 0.67 PDE3B (0.34)
SCHEMBL13859949 0.65 TSHR (0.35)

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
CN-105358551-A Octahydro-cyclopentapyrrolyl antagonists of CCR2 JANSSEN PHARMACEUTICA NV 2016-02-24 CN disclosed