SCHEMBL30404154

SCHEMBL30404154

C[C@H](Cn1ccc2cncnc21)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 5/20 0.36
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
FDPS P14324 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
EGFR P00533 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
CYP2D6 P10635 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SLC22A1 O15245 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
PRNP P04156 1/20 0.31

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
SCHEMBL24110362 1.00 MKNK2 (0.36) MKNK2HTR2AHTR2CHTR2BPRMT5
SCHEMBL25299990 1.00 MKNK2 (0.36) MKNK2HTR2AHTR2CHTR2BPRMT5
SCHEMBL18926936 0.84 MKNK2 (0.39) MKNK2HTR2AHTR2CHTR2BPRMT5
SCHEMBL25301570 0.82 HTR2C (0.52) HTR2AHTR2CHTR2BCYP1A2
SCHEMBL24110230 0.82 HTR2C (0.52) HTR2AHTR2CHTR2BCYP1A2
SCHEMBL30404228 0.82 HTR2C (0.52) HTR2AHTR2CHTR2BCYP1A2
SCHEMBL25818036 0.78 HTR2A (0.38) HTR2AHTR2CHTR2BCYP1A2
SCHEMBL25818021 0.78 MTNR1A (0.47) HTR2AHTR2CHTR2BCYP2D6CYP1A2
SCHEMBL5068124 0.76 MKNK2 (0.42) MKNK2HTR2AHTR2CHTR2BPRMT5
SCHEMBL24110604 0.76 HTR2C (0.47) MKNK2HTR2AHTR2CEGFR

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-4165049-A1 ISOTRYPTAMINE PSYCHOPLASTOGENS AND USES THEREOF Delix Therapeutics, Inc. (US) 2023-04-19 EP disclosed