SCHEMBL28861

SCHEMBL28861

Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)C4CCCCN4)CC3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 18/20 0.71
CRBN Q96SW2 2/20 0.52
CYP3A4 P08684 2/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL27589 0.82 HPGDS (1.00) HPGDSCRBN
SCHEMBL27841 0.81 HPGDS (1.00) HPGDSCRBNCYP3A4USP2ALDH1A1
SCHEMBL27787 0.81 HPGDS (1.00) HPGDSCRBN
SCHEMBL29363 0.79 HPGDS (1.00) HPGDSCRBN
SCHEMBL23017395 0.77 HPGDS (0.73) HPGDSCRBNCYP3A4USP2ALDH1A1
SCHEMBL28492 0.76 HPGDS (0.81) HPGDSCRBN
SCHEMBL28314 0.76 HPGDS (0.73) HPGDSCRBNCYP3A4
SCHEMBL28315 0.75 HPGDS (1.00) HPGDSCRBNCYP3A4
SCHEMBL9998846 0.75 HPGDS (1.00) HPGDSCRBN
SCHEMBL28862 0.74 HPGDS (0.54) HPGDSCYP3A4USP2ALDH1A1SMN1; SMN2

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-2407466-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE Taiho Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed