SCHEMBL7149710

SCHEMBL7149710

CC#CCN(CC)CCOC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL15024815 0.83 CHRM2 (0.35) KCNH2MEN1KMT2AALDH1A1POLB
SCHEMBL23471056 0.82 MCHR1 (0.32) MEN1KMT2AALDH1A1POLB
SCHEMBL13241378 0.80 CHRM2 (0.37) KCNH2MEN1KMT2AALDH1A1CHRM2
SCHEMBL1408760 0.77
SCHEMBL936173 0.77
SCHEMBL2760168 0.77 KMT2A (0.41) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL12663243 0.75 MEN1 (0.37) KCNH2MEN1KMT2APOLB
Iodide SCHEMBL28268785 0.74 KMT2A (0.44) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL7152117 0.74 CYP1A2 (0.41) KCNH2ALDH1A1CHRM2CHRM4CHRM5
SCHEMBL7177278 0.74 PIK3CD (0.45)

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
EP-3260454-A1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2017-12-27 EP disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 WO disclosed