SCHEMBL7407133

SCHEMBL7407133

[2H]C([2H])(C(=O)OCC)C([2H])([2H])C([2H])([2H])n1ccc2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SHMT2 P34897 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 0.37
▸ TUBA1A Q71U36 1/20 0.37
▸ TUBA1C Q9BQE3 1/20 0.37
▸ TUBB6 Q9BUF5 1/20 0.37
▸ TUBB2B Q9BVA1 1/20 0.37

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
SCHEMBL1666483 0.82 NTSR1 (0.52) NTSR1ALDH1A1MAPTHPGDSHMT2
SCHEMBL1664268 0.78 TNF (0.56) NTSR1PRKCITNFMCL1
SCHEMBL7483288 0.72 PRKCI (0.47) NTSR1PRKCIMAOAADORA3KDM4E
SCHEMBL2873285 0.72 MCL1 (0.43) NTSR1ALDH1A1MAPTHPGDSHMT2
SCHEMBL7409259 0.71 PRKCI (0.42) NTSR1PRKCI
SCHEMBL14876504 0.71 NTSR1 (0.57) NTSR1ALDH1A1HPGDPRKCITUBB4A
SCHEMBL15127554 0.71 PLA2G4A (0.50) NTSR1ALDH1A1MAPT
SCHEMBL7481379 0.70 ALDH1A1 (0.46) NTSR1ALDH1A1MAPTHPGDKDM4E
SCHEMBL218056 0.70 PRKCI (0.58) NTSR1ALDH1A1MAPTHPGDPRKCI
SCHEMBL31265088 0.70 PRKCI (0.58) NTSR1ALDH1A1MAPTHPGDPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 — — US disclosed
EP-1003737-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2000-05-31 — — EP disclosed
WO-1999009024-A1 PHENYL UREA AND PHENYL THIOUREA DERIVATIVES AS HFGAN72 ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-02-25 — — WO disclosed
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