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SCHEMBL4722360

SCHEMBL4722360

O=c1c2c(c(C3=CCCCC3)nn1-c1cc(N3CC[C@H](O)C3)ccc1C(F)(F)F)CCC2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.38
▸ PDE3B Q13370 3/20 0.34
▸ PDE3A Q14432 3/20 0.34
▸ NOTUM Q6P988 7/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ HSD11B1 P28845 3/20 0.33
▸ AR P10275 1/20 0.32

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
SCHEMBL4722364 1.00 P2RX7 (0.38) P2RX7PDE3BPDE3ANOTUMPTGS2
SCHEMBL4721555 0.97 P2RX7 (0.38) P2RX7PDE3BPDE3ANOTUMRORC
SCHEMBL4721548 0.97 P2RX7 (0.38) P2RX7PDE3BPDE3ANOTUMRORC
SCHEMBL4721099 0.85 P2RX7 (0.41) P2RX7PDE3BPDE3ANOTUMPTGS2
SCHEMBL4721096 0.85 P2RX7 (0.41) P2RX7PDE3BPDE3ANOTUMPTGS2
SCHEMBL14101783 0.85 NOTUM (0.38) P2RX7PDE3BPDE3ANOTUMPTGS2
SCHEMBL4722196 0.85 HSD11B1 (0.39) P2RX7PDE3BPDE3ANOTUMRORC
SCHEMBL4722191 0.85 HSD11B1 (0.39) P2RX7PDE3BPDE3ANOTUMRORC
SCHEMBL4719662 0.85 P2RX7 (0.38) P2RX7PDE3BPDE3ANOTUMRORC
SCHEMBL4723155 0.85 PDE3B (0.39) P2RX7PDE3BPDE3ANOTUMRORC

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