SCHEMBL24723814

SCHEMBL24723814

CCN(CC)C(=O)Cc1cn(C)c2ccc(OC)cc12

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.57
MTNR1B P49286 9/20 0.57
NQO2 P16083 1/20 0.57
ICMT O60725 2/20 0.57
HTR6 P50406 1/20 0.56
ADRB2 P07550 1/20 0.55
AKR1C3 P42330 2/20 0.52
AKR1C2 P52895 1/20 0.52
PTGS2 P35354 1/20 0.51

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
SCHEMBL16494963 0.90 HTR6 (0.57) MTNR1AMTNR1BNQO2ICMTHTR6
SCHEMBL2685182 0.83 MTNR1A (0.63) MTNR1AMTNR1BNQO2HTR6ADRB2
SCHEMBL2686296 0.82 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR6ADRB2
SCHEMBL13888101 0.81 ADRB2 (0.70) MTNR1AMTNR1BNQO2HTR6ADRB2
SCHEMBL29993260 0.81 AKR1C3 (0.58) MTNR1AICMTHTR6AKR1C3AKR1C2
SCHEMBL24723269 0.77 MTNR1A (0.56) MTNR1AMTNR1BNQO2HTR6ADRB2
SCHEMBL12185393 0.76 ADRB2 (0.76) MTNR1AMTNR1BNQO2HTR6ADRB2
SCHEMBL18509701 0.75 MTNR1A (0.67) MTNR1AMTNR1BNQO2HTR6ADRB2
SCHEMBL7388695 0.75 MTNR1A (0.54) MTNR1AMTNR1BNQO2HTR6ADRB2
SCHEMBL15242222 0.74 MTNR1A (0.70) MTNR1AMTNR1BNQO2HTR6ADRB2

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-2022232931-A1 CATALYTIC TRYPTAMINE PROCESSES AND PRECURSORS KARE CHEMICAL TECHNOLOGIES INC. (CA) 2022-11-10 WO disclosed