SCHEMBL8020697

SCHEMBL8020697

O=C(Nc1ccccc1Nc1ccccc1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.71
▸ KDM4E B2RXH2 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ CETP P11597 1/20 0.63
▸ HDAC3 O15379 1/20 0.63
▸ HDAC1 Q13547 1/20 0.63
▸ HDAC2 Q92769 1/20 0.63
▸ SIRT2 Q8IXJ6 1/20 0.63
▸ GAA P10253 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ GFER P55789 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.57
▸ KCNK3 O14649 1/20 0.56
▸ KCNK9 Q9NPC2 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ PIP5K1C O60331 1/20 0.53

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
SCHEMBL12323604 0.88 CETP (0.77) HPGDKDM4ECETPHDAC3HDAC1
SCHEMBL28256535 0.88 CETP (0.77) HPGDKDM4ECETPHDAC3HDAC1
SCHEMBL28258088 0.88 CETP (0.77) HPGDKDM4ECETPHDAC3HDAC1
SCHEMBL19501808 0.86 HPGD (0.73) HPGDKDM4EMAPTCETPHDAC3
SCHEMBL11747871 0.85 SIRT2 (0.64) HPGDKDM4EMAPTCETPHDAC3
SCHEMBL4227347 0.85 SIRT2 (0.54) HPGDKDM4EMAPTCETPHDAC3
SCHEMBL4867871 0.85 SIRT2 (0.54) HPGDKDM4EMAPTCETPHDAC3
SCHEMBL8020692 0.84 HPGD (0.87) HPGDKDM4EMAPTSIRT2GAA
SCHEMBL19703413 0.83 HPGD (1.00) HPGDMAPTGAAMEN1GFER
SCHEMBL1300190 0.83 HPGD (1.00) HPGDMAPTGAAMEN1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030992-A ANTAGONISTS FOR THE BINDING OF NEUROKININ-2 RECEPTOR; SLEEP DISORDERS; BENZIMIDES, 2- OR 3-ALKOXYBENZIMIDES AND 2,3-DIALKOXYBENZIMIDES ELI LILLY AND COMPANY (US) 2000-02-29 — — US disclosed
US-6025379-A A SUBSTITUTED BENZIMIDAZOLE, TACHYKININ RECEPTOR ANTAGONISTS, ELI LILLY AND COMPANY (US) 2000-02-15 — — US disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
US-5552426-A NERVOUS SYSTEM DISORDERS USING IMIDAZOLE DERIVITIVES ELI LILLY AND COMPANY (US) 1996-09-03 — — US disclosed
EP-0694535-A1 Non-peptidyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-01-31 — — EP disclosed
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