SCHEMBL17778450

SCHEMBL17778450

O=C(Nc1cc(OC[C@@H](O)CO)ccn1)N1c2nc(-c3cccc(C(F)(F)I)c3)ncc2N2CC[C@H]1C2

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.32
▸ WDR77 Q9BQA1 2/20 0.32
▸ CPT2 P23786 1/20 0.31
▸ CPT1A P50416 1/20 0.31
▸ CPT1B Q92523 1/20 0.31
▸ CSF1R P07333 2/20 0.31
▸ ADRB3 P13945 3/20 0.31
▸ ADRB2 P07550 2/20 0.31
▸ ADRB1 P08588 2/20 0.31
▸ ABL1 P00519 3/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ FGFR1 P11362 2/20 0.30
▸ KDR P35968 2/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ BRAF P15056 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ SCN1A P35498 1/20 0.30
▸ SCN5A Q14524 1/20 0.30
▸ SCN9A Q15858 1/20 0.30

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
SCHEMBL20550417 0.95 CPT2 (0.36) PRMT5WDR77CPT2CPT1ACPT1B
SCHEMBL20550416 0.95 CPT2 (0.36) PRMT5WDR77CPT2CPT1ACPT1B
SCHEMBL17769754 0.95 CPT2 (0.36) PRMT5WDR77CPT2CPT1ACPT1B
SCHEMBL17769401 0.91 CPT2 (0.37) PRMT5WDR77CPT2CPT1ACPT1B
SCHEMBL17769483 0.91 CPT2 (0.37) PRMT5WDR77CPT2CPT1ACPT1B
SCHEMBL17769487 0.91 CPT2 (0.37) PRMT5WDR77CPT2CPT1ACPT1B
SCHEMBL17778223 0.89 TRPV1 (0.32) ADRB3ADRB2ADRB1ROCK2
SCHEMBL20550364 0.86 TRPV1 (0.35) PRMT5WDR77CPT2CPT1ACPT1B
SCHEMBL17769718 0.86 TRPV1 (0.35) PRMT5WDR77CPT2CPT1ACPT1B
SCHEMBL17769667 0.86 TRPV1 (0.35) PRMT5WDR77CPT2CPT1ACPT1B

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
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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