SCHEMBL3051654

SCHEMBL3051654

C=CC(=O)CC(c1ccc(Cl)cc1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.50
TP53 P04637 4/20 0.50
THRB P10828 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.47

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
SCHEMBL11293575 0.88 ALDH1A1 (0.46) P2RX7TP53THRBLMNA
Hydrochloric Acid SCHEMBL11299080 0.87 ALDH1A1 (0.45) P2RX7TP53THRBLMNA
SCHEMBL3047241 0.86 SLC6A2 (0.55) P2RX7
SCHEMBL11297451 0.84 ALDH1A1 (0.46) P2RX7TP53THRBLMNAMAPT
SCHEMBL3051670 0.84 P2RX7 (0.48) P2RX7TP53THRBLMNAMAPT
Hydrochloric Acid SCHEMBL11294182 0.83 ALDH1A1 (0.45) P2RX7TP53THRBMAPT
SCHEMBL3051057 0.81 P2RX7 (0.45) P2RX7TP53THRBLMNAMAPT
SCHEMBL3040850 0.81 DPP4 (0.46) P2RX7LMNA
SCHEMBL3260671 0.75 LMNA (0.44) LMNA
Hydrochloric Acid SCHEMBL11295525 0.74 LMNA (0.44) LMNA

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
WO-2010068794-A2 HIF INHIBITORS AND USE THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2010-06-17 WO disclosed