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Sugi Predict / Compounds / SCHEMBL4722526

SCHEMBL4722526

SCHEMBL4722526

COc1cc(OC)cc(-c2nn(-c3cc(N4CCC(O)C4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(=O)N(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 11/20 0.35
▸ F2 P00734 3/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ PTK2 Q05397 1/20 0.33
▸ CXCR3 P49682 2/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CACNA2D1 P54289 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
SCHEMBL4722522 1.00 F10 (0.35) F10F2P2RX7NOTUMPTK2
SCHEMBL4722143 0.94 F10 (0.34) F10F2P2RX7NOTUMCXCR3
SCHEMBL4722137 0.94 F10 (0.34) F10F2P2RX7NOTUMCXCR3
SCHEMBL4720716 0.93 F10 (0.36) F10F2P2RX7CXCR3SLC6A9
SCHEMBL4720721 0.93 F10 (0.36) F10F2P2RX7CXCR3SLC6A9
SCHEMBL4720618 0.93 F10 (0.36) F10F2P2RX7NOTUMCXCR3
SCHEMBL4720620 0.93 F10 (0.36) F10F2P2RX7NOTUMCXCR3
SCHEMBL4723793 0.92 F10 (0.36) F10F2P2RX7CXCR3ROCK2
SCHEMBL4723789 0.92 F10 (0.36) F10F2P2RX7CXCR3ROCK2
SCHEMBL4719091 0.92 F10 (0.36) F10F2P2RX7NOTUMCXCR3

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