SCHEMBL4721179

SCHEMBL4721179

Cc1ccc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2CCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.35
SYK P43405 2/20 0.35
HSD11B1 P28845 3/20 0.35
SOS1 Q07889 2/20 0.35
PTGS2 P35354 1/20 0.35
TP53 P04637 1/20 0.34
NOTUM Q6P988 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
UGCG Q16739 1/20 0.34

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
SCHEMBL4721174 1.00 P2RX7 (0.41) P2RX7PDE3BPDE3AMEN1LMNA
SCHEMBL4766349 0.93 P2RX7 (0.41) P2RX7PDE3BPDE3ASYKHSD11B1
SCHEMBL4766334 0.93 P2RX7 (0.41) P2RX7PDE3BPDE3ASYKHSD11B1
SCHEMBL4723155 0.92 PDE3B (0.39) P2RX7PDE3BPDE3AMEN1LMNA
SCHEMBL4722196 0.92 HSD11B1 (0.39) P2RX7PDE3BPDE3AMAPTHSD11B1
SCHEMBL4722191 0.92 HSD11B1 (0.39) P2RX7PDE3BPDE3AMAPTHSD11B1
SCHEMBL4723162 0.92 PDE3B (0.39) P2RX7PDE3BPDE3AMEN1LMNA
SCHEMBL4724017 0.92 PDE3B (0.38) P2RX7PDE3BPDE3ASYKHSD11B1
SCHEMBL4724020 0.92 P2RX7 (0.41) P2RX7PDE3BPDE3ASYKHSD11B1
SCHEMBL4724027 0.92 P2RX7 (0.41) P2RX7PDE3BPDE3ASYKHSD11B1

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