SCHEMBL24635653

SCHEMBL24635653

CCCNCC(/C=C1\CCc2c[nH]c3cccc1c23)C(=O)N(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.39
HTR2C P28335 4/20 0.39
HTR1A P08908 4/20 0.39
HTR2B P41595 4/20 0.39
HTR6 P50406 4/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 4/20 0.39
CYP2D6 P10635 3/20 0.39
ADRB1 P08588 3/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ADRB2 P07550 2/20 0.39
HRH1 P35367 2/20 0.39

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
SCHEMBL24635743 0.91 HTR2A (0.39) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL24635493 0.84 TACR1 (0.39) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL24635602 0.76 HSD17B10 (0.36) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL27360635 0.73 HTR7 (0.42) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL25891565 0.67 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL25042663 0.66 PARP1 (0.41) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL19216639 0.63 PARP1 (0.43) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL27346755 0.62 HTR7 (0.42) HTR2AHTR2CHTR1AHTR2BHTR6
SCHEMBL261487 0.59 PARP1 (0.64) HTR1AHTR2BHTR6HTR7DRD3
SCHEMBL10817815 0.57 HTR2A (0.72) HTR2AHTR2CHTR1AHTR2BHTR6

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
WO-2022226408-A1 NOVEL ERGOLINES AND METHODS OF TREATING MOOD DISORDERS GILGAMESH PHARMACEUTICALS, INC. (US) 2022-10-27 WO disclosed