SCHEMBL15032039

SCHEMBL15032039

O=C(CCN1CCNCC1)NCNC(=O)CCN1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 3/20 0.44
CHRM5 P08912 2/20 0.43
CHRM3 P20309 2/20 0.43
MAPT P10636 2/20 0.43
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ANPEP P15144 1/20 0.37
ERAP2 Q6P179 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
SCHEMBL16574879 0.92 ITGB3 (0.44) HSD17B10MEN1KMT2ASIGMAR1CHRM5
SCHEMBL15032035 0.87 ALDH1A1 (0.47) HSD17B10MEN1KMT2ASIGMAR1CHRM5
SCHEMBL19334699 0.87 SMN1; SMN2 (0.51) HSD17B10MEN1KMT2ASIGMAR1CHRM5
SCHEMBL16574882 0.86 ALDH1A1 (0.46) HSD17B10MEN1KMT2ASIGMAR1CHRM5
SCHEMBL15032038 0.85 MAPT (0.44) HSD17B10MEN1KMT2ASIGMAR1CHRM5
SCHEMBL16574883 0.82 ITGB3 (0.48) ITGB3ITGA2BHTR1AHTR7
SCHEMBL23936816 0.81 CHRM5 (0.43) HSD17B10MEN1KMT2ASIGMAR1CHRM5
SCHEMBL11033869 0.81 CHRM5 (0.47) HSD17B10MEN1KMT2ASIGMAR1CHRM5
SCHEMBL16574887 0.80 ALDH1A1 (0.39) HSD17B10MEN1KMT2ASIGMAR1CHRM5
SCHEMBL16574881 0.78 GLA (0.50) HSD17B10KMT2ASIGMAR1MAPTHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9283299-B2 Injectable hydrogels WILLIAM MARSH RICE UNIVERSITY (US) 2016-03-15 US disclosed
US-20150079020-A1 INJECTABLE HYDROGELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
US-20150079020-A1 INJECTABLE HYDROGELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-19 US disclosed
WO-2013086523-A2 INJECTABLE HYDROGELS WILLIAM MARSH RICE UNIVERSITY (US) 2013-06-13 WO disclosed