SCHEMBL15045011

SCHEMBL15045011

CN1CCC(C#CC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2cc3cc(Cl)ccc3n2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.46
▸ AHR P35869 1/20 0.43
▸ PHGDH O43175 7/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ F10 P00742 5/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ F2 P00734 2/20 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
SCHEMBL4093939 0.81 F10 (0.57) F10F2
SCHEMBL5902829 0.81 F10 (0.57) F10F2
SCHEMBL14817845 0.77 RXFP1 (0.56) RXFP1AHRPHGDHMEN1KMT2A
SCHEMBL11888214 0.73 HTR1A (0.33) MEN1KMT2AF10F2
SCHEMBL15045075 0.73 F10 (0.70) F10F2
SCHEMBL47199 0.69 RXFP1 (0.52) RXFP1AHRPHGDHMEN1KMT2A
SCHEMBL42264 0.69 RXFP1 (0.52) RXFP1AHRPHGDHMEN1KMT2A
SCHEMBL13151484 0.69 RXFP1 (0.52) RXFP1AHRPHGDHMEN1KMT2A
SCHEMBL15045009 0.68 F10 (0.58) F10F2
SCHEMBL1253301 0.67 RXFP1 (0.72) RXFP1AHRPHGDHMEN1KMT2A

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-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 — — EP disclosed
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