SCHEMBL16389592

SCHEMBL16389592

Fc1cc(CNC2CCNC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
SLC6A2 P23975 5/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 2/20 0.43
CCNT1 O60563 4/20 0.39
KCNH2 Q12809 2/20 0.39
POLB P06746 1/20 0.38
SSTR3 P32745 2/20 0.37
KDM1A O60341 1/20 0.37
CDK9 P50750 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12448915 0.92 PRMT5 (0.49) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL16250586 0.88 MAPK1 (0.41) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL15054703 0.87 PRMT5 (0.57) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL3633900 0.78 KDM1A (0.48) PRMT5WDR77CCNT1POLBSSTR3
SCHEMBL4980744 0.78 PRMT5 (0.64) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL5760854 0.76 KCNH2 (0.46) PRMT5WDR77SLC6A2SLC6A4SLC6A3
SCHEMBL951983 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KDM1ACYP2D6
SCHEMBL951982 0.75 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3KDM1ACYP2D6
SCHEMBL5763787 0.75 HTT (0.51) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL16250572 0.74 HRH3 (0.38) PRMT5WDR77CCNT1POLBKDM1A

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-2404907-B1 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-01-14 EP disclosed