SCHEMBL1709113

SCHEMBL1709113

COCCNC(=O)CCCN

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
CNR1 P21554 1/20 0.53
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
DDAH1 O94760 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 3/20 0.44
SLC6A5 Q9Y345 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RECQL P46063 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
Hydrochloric Acid SCHEMBL6044619 0.98 TSHR (0.61) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL26742630 0.93 TSHR (0.59) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL3553218 0.88 TSHR (0.57) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL23729602 0.86 TSHR (0.77) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL21155013 0.85 TSHR (0.70) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL22418053 0.84 TSHR (0.68) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL16489191 0.84 TSHR (0.73) TSHRHPGDSMN1; SMN2HTTKMT2A
SCHEMBL23478140 0.83 TSHR (0.65) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL3149173 0.83 TSHR (0.53) TSHRCNR1HPGDSMN1; SMN2HTT
SCHEMBL24164565 0.83 TSHR (0.67) TSHRCNR1HPGDSMN1; SMN2HTT

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
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP claimed
EP-2481427-A1 Folate-Tubulysin conjugates Endocyte, Inc. (US) 2012-08-01 EP disclosed