SCHEMBL11534730

SCHEMBL11534730

CCC(=O)NCCN1C=NCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.41
MTNR1B P49286 10/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34

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
SCHEMBL11535179 0.83 MTNR1A (0.40) MTNR1AMTNR1BTP53TSHRDRD2
SCHEMBL5892013 0.83 KDM4E (0.35) MEN1KMT2ATSHR
SCHEMBL10715567 0.83 FAAH (0.48) MEN1KMT2A
SCHEMBL5891996 0.80 POLB (0.34) MTNR1ADRD2
SCHEMBL26980870 0.77 CNR1 (0.55) MEN1KMT2A
SCHEMBL28141626 0.77 KMT2A (0.32) MEN1KMT2A
SCHEMBL11643386 0.76 ALDH1A1 (0.37) TSHR
SCHEMBL29563222 0.75 ALDH1A1 (0.43)
SCHEMBL7509232 0.71 KMT2A (0.45) MTNR1AMTNR1BMEN1KMT2ATP53
SCHEMBL598305 0.70

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-4137416-A 2-Acylamidoethyl-2-imidazolines AMERICAN CYANAMID COMPANY (US) 1979-01-30 US disclosed