SCHEMBL7978876

SCHEMBL7978876

CCCCCN(c1ncncn1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
CRHR1 P34998 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL27775488 0.80 KDM4E (0.30)
SCHEMBL27775966 0.76 KDM4E (0.31)
SCHEMBL5824071 0.74 DNM1 (0.39) CRHR1
SCHEMBL7236348 0.73 DNM1 (0.43) CRHR1
SCHEMBL29135407 0.73 DNM1 (0.43) CRHR1
SCHEMBL10866838 0.72 GBA1 (0.32)
SCHEMBL8976864 0.72 DNM1 (0.32)
SCHEMBL1885182 0.71
SCHEMBL18641556 0.70 DNM1 (0.40) CRHR1
SCHEMBL3182836 0.69 HTT (0.41) CRHR1

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
WO-2001068616-A1 SUBSTITUTED 1-ARYL-CYCLOPROPYLMETHYLAMINO-1,3,5-TRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed