SCHEMBL20871196

SCHEMBL20871196

C=CCN(CCC)Cc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.46
PYCR1 P32322 2/20 0.46
TAAR1 Q96RJ0 1/20 0.44
RIPK1 Q13546 1/20 0.44
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 4/20 0.42
SIGMAR1 Q99720 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL29334013 0.92 BCHE (0.48) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL20871162 0.90 BCHE (0.47) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL20871837 0.89 BCHE (0.46) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL20871259 0.89 BCHE (0.46) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL29335856 0.89 BCHE (0.46) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL20871058 0.89 BCHE (0.46) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL29334682 0.85 BCHE (0.46) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL29335265 0.85 BCHE (0.43) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL20871220 0.83 BCHE (0.44) BCHEPYCR1TAAR1RIPK1OPRM1
SCHEMBL21902238 0.83 PYCR1 (0.51) BCHEPYCR1TAAR1RIPK1SIGMAR1

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
EP-3707132-B1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIV PARIS SACLAY (FR) 2024-07-17 EP disclosed
WO-2019063952-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES UNIVERSITE PARIS-SUD (FR) 2019-04-04 WO disclosed