SCHEMBL25748616

SCHEMBL25748616

COc1cc(F)c2[nH]cc(CCN(C)C(C)C)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.45
MTNR1B P49286 8/20 0.45
HTR6 P50406 5/20 0.45
HTR1A P08908 4/20 0.45
CYP1A2 P05177 2/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR7 P34969 2/20 0.45
HTR4 Q13639 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HTR1E P28566 1/20 0.45
HTR1F P30939 1/20 0.45
HTR2B P41595 1/20 0.45
HTR3A P46098 1/20 0.45
HTR5A P47898 1/20 0.45

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
SCHEMBL30483738 1.00 MTNR1A (0.45) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL30877278 0.89 MTNR1A (0.43) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL29206392 0.89 MTNR1A (0.43) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL25748622 0.89 MTNR1A (0.43) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL30483757 0.89 MTNR1A (0.43) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL30877224 0.88 HTR6 (0.42) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL29206375 0.88 HTR6 (0.42) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL30877243 0.87 HTR1A (0.59) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL31158591 0.86 MTNR1A (0.44) MTNR1AMTNR1BHTR6HTR1ACYP1A2
SCHEMBL29206401 0.86 HTR1A (0.45) MTNR1AMTNR1BHTR6HTR1ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 CN claimed
CN-117957211-A Fluorinated tryptamine compounds, analogs thereof, and methods of use thereof 圣约瑟夫大学 2024-04-30 CN disclosed
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed