SCHEMBL4723155

SCHEMBL4723155

O=c1c2c(c(-c3ccc(C(F)(F)F)cc3)nn1-c1cc(N3CC[C@H](O)C3)ccc1C(F)(F)F)CCC2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
P2RX7 Q99572 1/20 0.38
NOTUM Q6P988 3/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM1A O60341 1/20 0.34
SYK P43405 1/20 0.34
RORC P51449 1/20 0.34
HSD11B1 P28845 3/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4723162 1.00 PDE3B (0.39) PDE3BPDE3AP2RX7NOTUMLMNA
SCHEMBL4722196 0.93 HSD11B1 (0.39) PDE3BPDE3AP2RX7NOTUMKDM4E
SCHEMBL4722191 0.93 HSD11B1 (0.39) PDE3BPDE3AP2RX7NOTUMKDM4E
SCHEMBL4719661 0.93 P2RX7 (0.38) PDE3BPDE3AP2RX7NOTUMRORC
SCHEMBL4719662 0.93 P2RX7 (0.38) PDE3BPDE3AP2RX7NOTUMRORC
SCHEMBL4722700 0.92 P2RX7 (0.41) PDE3BPDE3AP2RX7NOTUMKDM4E
SCHEMBL4722703 0.92 P2RX7 (0.41) PDE3BPDE3AP2RX7NOTUMKDM4E
SCHEMBL4724017 0.92 PDE3B (0.38) PDE3BPDE3AP2RX7NOTUMSYK
SCHEMBL4721174 0.92 P2RX7 (0.41) PDE3BPDE3AP2RX7NOTUMLMNA
SCHEMBL4721179 0.92 P2RX7 (0.41) PDE3BPDE3AP2RX7NOTUMLMNA

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed