SCHEMBL29998636

SCHEMBL29998636

CC(N)(CN)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.45
HTR2A P28223 2/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
SLC6A4 P31645 1/20 0.43
HRH1 P35367 3/20 0.41
RIPK1 Q13546 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
PRMT1 Q99873 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
AOC3 Q16853 1/20 0.37
CACNA1F O60840 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
ADRA1A P35348 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
SCHEMBL29998966 0.81 TAAR1 (0.48) TAAR1HTR2ASLC6A2SLC6A3SLC6A4
SCHEMBL9580024 0.80 TAAR1 (0.35) TAAR1SLC6A2SLC6A3SLC6A4
SCHEMBL9583940 0.79 AOC3 (0.52) TAAR1HTR2ASLC6A2SLC6A3SLC6A4
SCHEMBL10961816 0.77 TAAR1 (0.48) TAAR1HTR2ASLC6A3SLC6A4HRH1
SCHEMBL15156585 0.77 TAAR1 (0.48) TAAR1HTR2ASLC6A3SLC6A4HRH1
SCHEMBL352841 0.77 TAAR1 (0.46) TAAR1HTR2ASLC6A2SLC6A3SLC6A4
SCHEMBL9583302 0.76 TAAR1 (0.39) TAAR1HTR2ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL1662095 0.76 TAAR1 (0.46) TAAR1HTR2ASLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL17645582 0.73 SLC6A2 (0.41) TAAR1HTR2ASLC6A2SLC6A3SLC6A4
SCHEMBL708842 0.72 RIPK1 (0.40) TAAR1HTR2ASLC6A2SLC6A3SLC6A4

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-4069418-A1 PROCESS FOR PREPARING AMINES OVER A COPPER CATALYST BASF SE (DE) 2022-10-12 EP disclosed