SCHEMBL4723792

SCHEMBL4723792

[CH2]C(C)N1CCN(c2nccc(N)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OGA O60502 8/20 0.56
ACHE P22303 4/20 0.43
KDM1A O60341 1/20 0.41
SORD Q00796 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.37
PTPN11 Q06124 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
SCHEMBL4948656 0.79 HRH4 (0.56) OGAACHE
SCHEMBL29958994 0.79 HRH4 (0.56) OGAACHE
SCHEMBL4755801 0.79 OGA (0.51) OGA
SCHEMBL4947574 0.77 KDM1A (0.48) OGAACHEKDM1A
SCHEMBL10187275 0.77 KDM1A (0.48) OGAACHEKDM1A
SCHEMBL4498304 0.77 OGA (0.48) OGAACHEKDM1ASORD
SCHEMBL9900073 0.75 KDM1A (0.47) OGAACHEKDM1A
SCHEMBL4764853 0.74 GRIN2D (0.47) OGA
SCHEMBL24827231 0.73 ACHE (0.52) OGAACHEKDM1A
SCHEMBL22119525 0.73 OGA (0.44) OGAKDM1APTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed