SCHEMBL17769670

SCHEMBL17769670

O=C(Nc1ccc(OCC(O)CO)cn1)N1c2nc(-c3cccc(C(F)(F)F)c3)ncc2N2CCC1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.35
▸ CPT2 P23786 2/20 0.35
▸ CPT1A P50416 2/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KDR P35968 1/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ SCN1A P35498 2/20 0.34
▸ SCN5A Q14524 2/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ PRMT5 O14744 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
SCHEMBL17778471 1.00 TRPV1 (0.35) TRPV1CPT2CPT1ACPT1BLMNA
SCHEMBL17769667 1.00 TRPV1 (0.35) TRPV1CPT2CPT1ACPT1BLMNA
SCHEMBL20550364 1.00 TRPV1 (0.35) TRPV1CPT2CPT1ACPT1BLMNA
SCHEMBL17769718 1.00 TRPV1 (0.35) TRPV1CPT2CPT1ACPT1BLMNA
SCHEMBL17769715 1.00 TRPV1 (0.35) TRPV1CPT2CPT1ACPT1BLMNA
SCHEMBL17778375 0.96 CPT2 (0.36) TRPV1CPT2CPT1ACPT1BLMNA
SCHEMBL20550521 0.96 CPT2 (0.36) TRPV1CPT2CPT1ACPT1BLMNA
SCHEMBL17778507 0.96 CPT2 (0.36) TRPV1CPT2CPT1ACPT1BLMNA
SCHEMBL17778465 0.92 KDM4E (0.34) CPT2CPT1ACPT1BLMNAMAPT
SCHEMBL20550606 0.92 KDM4E (0.34) CPT2CPT1ACPT1BLMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3220918-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
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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