SCHEMBL4720178

SCHEMBL4720178

O=c1c2c(c(-c3ccc(Cl)c(F)c3)nn1-c1cc(N3CC[C@H](O)C3)ccc1C(F)(F)F)CCC2

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.39
P2RX7 Q99572 1/20 0.39
NOTUM Q6P988 13/20 0.38
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
AR P10275 1/20 0.36
F10 P00742 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL4720182 1.00 RORC (0.39) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4721505 0.94 RORC (0.39) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4720636 0.94 P2RX7 (0.42) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4721512 0.94 RORC (0.39) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4720633 0.94 P2RX7 (0.42) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4723275 0.94 P2RX7 (0.40) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4723278 0.94 P2RX7 (0.40) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4722764 0.93 NOTUM (0.38) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4722768 0.93 NOTUM (0.38) RORCP2RX7NOTUMPDE3BPDE3A
SCHEMBL4766402 0.91 P2RX7 (0.39) RORCP2RX7NOTUMPDE3BPDE3A

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