SCHEMBL2048600

SCHEMBL2048600

CCC1CN(C)CCN(C)CCN1C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.34
KAT6A Q92794 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
SCHEMBL14948558 0.98 KAT6A (0.32) NCF1KAT6A
SCHEMBL14948548 0.98 KAT6A (0.32) NCF1KAT6A
SCHEMBL90077 0.98 KAT6A (0.32) NCF1KAT6A
SCHEMBL20161410 0.84 CYP1A2 (0.35)
SCHEMBL16707752 0.84 CYP1A2 (0.35)
SCHEMBL20161474 0.84 CYP1A2 (0.35)
SCHEMBL16707762 0.81 NCF1 (0.39) NCF1
SCHEMBL9801833 0.79 SLC6A3 (0.33)
SCHEMBL14664303 0.79 SLC6A3 (0.33)
SCHEMBL15722724 0.79 NCF1 (0.48) NCF1

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-2011066934-A1 NONHYGROSCOPIC TRANSITION METAL COMPLEXES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2011-06-09 WO disclosed