SCHEMBL24520875

SCHEMBL24520875

CCC/N=C(\CC)CCCCCCN

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
PAOX Q6QHF9 1/20 0.40
DHPS P49366 1/20 0.40
ALOX15 P16050 2/20 0.37
PLG P00747 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
SLC6A2 P23975 1/20 0.37
RECQL P46063 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 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
SCHEMBL13743097 0.80 CES1 (0.38) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL28025946 0.79 MEN1 (0.48) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL29076993 0.76 PAOX (0.39) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL28830250 0.74 PAOX (0.38) DNM1MEN1KMT2AALDH1A1TSHR
SCHEMBL1931586 0.73 MEN1 (0.44) MEN1KMT2ATSHRDHPSLMNA
SCHEMBL20083871 0.71 CES2 (0.42) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL1932465 0.71
SCHEMBL8860277 0.71 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL11766649 0.70 CES2 (0.42) MEN1KMT2AALDH1A1TSHRALOX15
SCHEMBL11766652 0.70 CES2 (0.42) MEN1KMT2AALDH1A1TSHRALOX15

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
EP-3116509-B1 A NEW CLASS OF MU-OPIOID RECEPTOR AGONISTS UNIV COLUMBIA (US) 2022-06-22 EP disclosed