SCHEMBL842129

SCHEMBL842129

CCCCOC(=O)N1CCN([C@H]2CC[C@H](N)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
CHRM1 P11229 3/20 0.47
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
CHRM2 P08172 2/20 0.44
MAPK1 P28482 1/20 0.41
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
GAA P10253 2/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 3/20 0.38
P2RY12 Q9H244 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL842128 1.00 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBCHRM1TDP1
SCHEMBL29845745 0.87 SMN1; SMN2 (0.52) SMN1; SMN2LMNAPOLBCHRM1TDP1
SCHEMBL856302 0.85 SMN1; SMN2 (0.59) SMN1; SMN2LMNAPOLBCHRM1TDP1
SCHEMBL3573686 0.83 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBCHRM1TDP1
SCHEMBL9405372 0.80 POLB (0.73) SMN1; SMN2LMNAPOLBTDP1GAA
SCHEMBL11178916 0.78 CHRM1 (0.64) SMN1; SMN2POLBCHRM1TDP1TP53
SCHEMBL3310701 0.78 SMN1; SMN2 (0.51) SMN1; SMN2LMNAPOLBCHRM1TDP1
SCHEMBL3311351 0.77 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPOLBCHRM1TDP1
SCHEMBL23689560 0.77 IRAK4 (0.44) POLBCHRM1TDP1TP53CHRM2
SCHEMBL25220881 0.77 IRAK4 (0.44) POLBCHRM1TDP1TP53CHRM2

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-8143247-B2 Combinations for the treatment of diseases involving cell proliferation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-27 US disclosed