SCHEMBL25424142

SCHEMBL25424142

COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.56
HTR6 P50406 6/20 0.52
HTR2A P28223 8/20 0.42
HTR2C P28335 5/20 0.42
HTR2B P41595 5/20 0.42
HTR1D P28221 4/20 0.42
HTR1B P28222 4/20 0.42
HTR1E P28566 3/20 0.42
HTR7 P34969 3/20 0.42
HTR5A P47898 3/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR1F P30939 2/20 0.42
HTR3A P46098 2/20 0.42
HTR4 Q13639 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL30483740 1.00 HTR1A (0.56) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL25145335 0.87 HTR1A (0.73) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL25424162 0.86 HTR1A (0.52) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL25748552 0.86 HTR1A (0.77) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL25747860 0.83 HTR1A (0.57) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL20970943 0.83 HTR6 (0.76) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL29967542 0.83 HTR6 (0.76) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL25425920 0.82 HTR1A (0.47) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL2406312 0.80 HTR1A (0.54) HTR1AHTR6HTR2AHTR2CHTR2B
SCHEMBL25748330 0.80 HTR6 (0.49) HTR1AHTR6HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2023115166-A1 COMPOUNDS Psylo Pty Ltd (AU) 2023-06-29 WO disclosed