SCHEMBL27367756

SCHEMBL27367756

CC(C)N(C)CCc1cccc2c(CCN(C)CCc3cccc4ccc(F)cc34)cccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.47
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR6 P50406 3/20 0.37
MPO P05164 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
NQO2 P16083 1/20 0.35

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
SCHEMBL27366186 0.94 HTR2A (0.52) HTR2AMTNR1AMTNR1BHTR6MPO
Fumaric Acid SCHEMBL31331788 0.83 HTR2A (0.46) HTR2AMTNR1AMTNR1BHTR6HTR2C
SCHEMBL31618132 0.83 HTR2A (0.52) HTR2AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL27366184 0.81 HTR2A (0.67) HTR2AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL27366183 0.80 HTR2A (0.64) HTR2AMTNR1AMTNR1BHTR6MPO
SCHEMBL27366114 0.79 HTR2A (0.60) HTR2AMTNR1ACYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL31499084 0.78 HTR2A (0.59) HTR2ACYP1A2CYP2D6CYP2C19HTR2C
SCHEMBL27367754 0.78 HTR2A (0.52) HTR2AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL27365895 0.78 HTR2A (0.59) HTR2AMTNR1AMTNR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL31332043 0.76 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B

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-2023230649-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-12-07 WO disclosed