SCHEMBL3076008

SCHEMBL3076008

CC[C]N(C)CCCCC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.48
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
S1PR2 O95136 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
GGPS1 O95749 3/20 0.31
GBA1 P04062 1/20 0.31
EPHX2 P34913 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
SCHEMBL271218 0.74
SCHEMBL27769660 0.74
SCHEMBL270624 0.74
SCHEMBL5178534 0.74
SCHEMBL303800 0.72 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL9660374 0.72 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL1061735 0.72 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL10703408 0.72 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL14679618 0.72 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1
SCHEMBL271300 0.72 DNM1 (0.52) DNM1TSHRTHRBS1PR2S1PR1

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
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed