SCHEMBL29334682

SCHEMBL29334682

C=CCN(CCO)Cc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.46
OPRM1 P35372 4/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
RIPK1 Q13546 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20871196 0.85 BCHE (0.46) BCHEOPRM1OPRD1OPRK1GRIN2D
SCHEMBL20871220 0.83 BCHE (0.44) BCHEOPRM1OPRD1OPRK1MEN1
SCHEMBL29334013 0.83 BCHE (0.48) BCHEOPRM1OPRD1OPRK1GRIN2D
SCHEMBL20871162 0.82 BCHE (0.47) BCHEOPRM1OPRD1OPRK1RIPK1
SCHEMBL29335265 0.82 BCHE (0.43) BCHEOPRM1OPRD1OPRK1GRIN2D
SCHEMBL29334681 0.81 PYCR1 (0.56) BCHEOPRM1OPRD1OPRK1HTT
SCHEMBL9416060 0.81 HTT (0.51) BCHEOPRM1OPRD1OPRK1MEN1
SCHEMBL20871259 0.81 BCHE (0.46) BCHEOPRM1OPRD1OPRK1RIPK1
SCHEMBL20871837 0.81 BCHE (0.46) BCHEOPRM1OPRD1OPRK1RIPK1
SCHEMBL20871058 0.81 BCHE (0.46) BCHEOPRM1OPRD1OPRK1RIPK1

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-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed