SCHEMBL25154150

SCHEMBL25154150

Cc1ccc2ccn(CC(C)C)c2c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.76
HTR2A P28223 11/20 0.76
PRMT5 O14744 1/20 0.50
HTR7 P34969 2/20 0.48
P2RX7 Q99572 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL8959657 0.86 HTR2C (0.71) HTR2CHTR2APRMT5HTR7P2RX7
SCHEMBL8959650 0.86 HTR2C (0.71) HTR2CHTR2APRMT5HTR7P2RX7
SCHEMBL9230485 0.86 HTR2C (1.00) HTR2CHTR2APRMT5HTR7CYP1A2
SCHEMBL9230483 0.86 HTR2C (1.00) HTR2CHTR2APRMT5HTR7CYP1A2
SCHEMBL13283050 0.86 HTR2C (0.76) HTR2CHTR2APRMT5CYP1A2CYP3A4
SCHEMBL26673242 0.81 HTR2C (0.77) HTR2CHTR2AHTR7P2RX7CYP1A2
SCHEMBL24144837 0.81 HTR2C (0.58) HTR2CHTR2APRMT5HTR7CYP1A2
SCHEMBL26674331 0.81 HTR7 (0.53) HTR2CHTR2AHTR7CYP1A2CYP3A4
SCHEMBL24142902 0.81 HTR7 (0.63) HTR2CHTR2APRMT5HTR7
SCHEMBL15712674 0.81 HTR2C (0.55) HTR2CHTR2AHTR7CYP1A2CYP3A4

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-2023064345-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed