SCHEMBL14065629

SCHEMBL14065629

CCC(C)NCCCN(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
NSD2 O96028 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CACNA2D1 P54289 7/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL14065624 0.86 SLC22A1 (0.35) ALDH1A1TDP1SIGMAR1
SCHEMBL12085574 0.82 PAOX (0.40) PAOXALDH1A1GAAAPAF1NPC1
SCHEMBL152809 0.82 PAOX (0.40) PAOXALDH1A1GAAAPAF1NPC1
SCHEMBL19456546 0.82 PAOX (0.42) PAOXALDH1A1GAAKDM4EAPAF1
SCHEMBL2196628 0.82 PAOX (0.35) PAOXALDH1A1GAAAPAF1NPC1
SCHEMBL23468502 0.80 PAOX (0.39) PAOXALDH1A1GAAHTTAPAF1
SCHEMBL2155764 0.80 TDP1 (0.40) PAOXALDH1A1KDM4EHTTPOLB
SCHEMBL11465053 0.78 PAOX (0.42) PAOXALDH1A1GAAHTTAPAF1
SCHEMBL9419674 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EHTTPOLBTDP1
SCHEMBL30891548 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHTTPOLBTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed
US-7419990-B2 Piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2008-09-02 US disclosed