SCHEMBL7409259

SCHEMBL7409259

[2H]C([2H])(C#N)C([2H])([2H])C([2H])([2H])n1ccc2cc(N)ccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PRKCI P41743 1/20 0.42
▸ NTSR1 P30989 1/20 0.38
▸ PLAU P00749 3/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HTR2C P28335 5/20 0.33
▸ HTR2A P28223 4/20 0.33
▸ EGFR P00533 2/20 0.33
▸ BRPF1 P55201 1/20 0.33
▸ PLG P00747 2/20 0.33
▸ APP P05067 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
SCHEMBL7407133 0.71 NTSR1 (0.42) PRKCINTSR1
SCHEMBL218056 0.71 PRKCI (0.58) PRKCINTSR1PLAUHTR6HTR2C
SCHEMBL31265088 0.71 PRKCI (0.58) PRKCINTSR1PLAUHTR6HTR2C
SCHEMBL17076858 0.70 MAOA (0.49) PRKCINTSR1PLAUHTR6HTR2C
SCHEMBL6789563 0.69 PRKCI (0.56) PRKCINTSR1PLAUHTR6HTR2C
Hydrochloric Acid SCHEMBL7361184 0.69 PRKCI (0.56) PRKCINTSR1PLAUHTR6HTR2C
SCHEMBL16370787 0.68 PRKCI (0.55) PRKCINTSR1PLAUHTR6HTR2C
SCHEMBL30672832 0.68 PRKCI (0.55) PRKCINTSR1PLAUHTR6HTR2C
SCHEMBL13836419 0.68 PRKCI (0.55) PRKCINTSR1PLAUHTR6HTR2C
SCHEMBL3650822 0.68 PRKCI (0.59) PRKCINTSR1PLAUHTR6HTR2C

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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