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SCHEMBL4724121

SCHEMBL4724121

O=c1c2c(c(-c3ccccc3Br)nn1-c1cc(N3CCC(O)C3)ccc1C(F)(F)F)CCC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.39
▸ RORC P51449 1/20 0.36
▸ HSD11B1 P28845 3/20 0.34
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ SOS1 Q07889 2/20 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
SCHEMBL4724116 1.00 P2RX7 (0.39) P2RX7RORCHSD11B1PDE3BPDE3A
SCHEMBL4720711 0.91 P2RX7 (0.42) P2RX7RORCHSD11B1PDE3BPDE3A
SCHEMBL4721711 0.91 P2RX7 (0.39) P2RX7RORCHSD11B1PDE3BPDE3A
SCHEMBL4722454 0.91 RORC (0.41) P2RX7RORCHSD11B1NOTUM
SCHEMBL4722448 0.91 RORC (0.41) P2RX7RORCHSD11B1NOTUM
SCHEMBL4720706 0.91 P2RX7 (0.42) P2RX7RORCHSD11B1PDE3BPDE3A
SCHEMBL4721709 0.91 P2RX7 (0.39) P2RX7RORCHSD11B1PDE3BPDE3A
SCHEMBL4723309 0.90 P2RX7 (0.42) P2RX7RORCNOTUM
SCHEMBL4723314 0.90 P2RX7 (0.42) P2RX7RORCNOTUM
SCHEMBL4721096 0.88 P2RX7 (0.41) P2RX7RORCHSD11B1PDE3BPDE3A

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