SCHEMBL10279891

SCHEMBL10279891

CN1CC=C(C#CC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)C2Cc3cc(Cl)ccc3N2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 13/20 0.34
▸ F2 P00734 4/20 0.34
▸ HRH4 Q9H3N8 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL11888214 0.83 HTR1A (0.33) F10F2HRH4HRH3HTR1A
SCHEMBL4089034 0.77 F10 (0.59) F10F2HRH4HRH3
SCHEMBL4089036 0.77 F10 (0.59) F10F2HRH4HRH3
SCHEMBL10280029 0.72 CCR1 (0.39) —
SCHEMBL11888244 0.72 F10 (0.65) F10F2
SCHEMBL764562 0.70 RAB9A (0.47) —
SCHEMBL742520 0.66 HRH4 (0.44) F10F2HRH4HRH3
SCHEMBL12507535 0.65 F10 (0.68) F10F2
SCHEMBL12507710 0.65 STS (0.41) F10
SCHEMBL765153 0.63 F10 (0.56) F10F2

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
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 — — EP disclosed
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