SCHEMBL8884589

SCHEMBL8884589

C1CCCC(N2CCCCNCC2)CCC1.C1CN2CCN1CC2

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.60
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.35
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OGFRL1 Q5TC84 1/20 0.34
PDE7A Q13946 1/20 0.34
MEN1 O00255 1/20 0.33
SLC18A3 Q16572 1/20 0.33
OPRL1 P41146 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
SCHEMBL28008874 0.94 HTR6 (0.67) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL477067 0.94 HTR6 (0.67) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL455527 0.94 HTR6 (0.67) HTR6HRH3KMT2AHPGDSMN1; SMN2
Ammonia Solution, Strong SCHEMBL11389061 0.92 HTR6 (0.64) HTR6HRH3KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL11395977 0.92 HTR6 (0.64) HTR6HRH3KMT2AHPGDSMN1; SMN2
Fluoride SCHEMBL28240221 0.92 HTR6 (0.64) HTR6HRH3KMT2AHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL11443374 0.90 HTR6 (0.62) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL29835975 0.90 HTR6 (0.62) HTR6HRH3KMT2AHPGDSMN1; SMN2
SCHEMBL3689659 0.90 HTR6 (0.59) HTR6HRH3KMT2AL3MBTL3L3MBTL1
SCHEMBL25639610 0.90 HTR6 (0.59) HTR6HRH3KMT2AL3MBTL3L3MBTL1

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-5602266-A Microporous square pyramidal-tetrahedral framework vanadium phosphates and their preparation NEC RESEARCH INSTITUTE, INC. (US) 1997-02-11 US disclosed