SCHEMBL11340907

SCHEMBL11340907

OC(C1=NCCCN1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 11/20 0.41
SLC6A4 P31645 11/20 0.41
SLC6A3 Q01959 10/20 0.41
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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 SCHEMBL11338924 0.99 MEN1 (0.45) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL8277196 0.76 PARP1 (0.36)
SCHEMBL11777869 0.74 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL2490434 0.73 LMNA (0.46) SLC6A4
SCHEMBL3163647 0.73 ADRA2A (0.41) SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL2490432 0.72 LMNA (0.49) SLC6A4
SCHEMBL11340987 0.70 MAOA (0.43) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL11830821 0.66 ADRA2A (0.57)
SCHEMBL11335566 0.65 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL1981717 0.64 TP53 (0.48) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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-4260626-A Tetrahydro and imidazoline antisecretory compounds RICHARDSON-MERRELL INC. (US) 1981-04-07 US claimed
US-4260626-A Tetrahydro and imidazoline antisecretory compounds RICHARDSON-MERRELL INC. (US) 1981-04-07 US disclosed