SCHEMBL24878466

SCHEMBL24878466

CNCCc1cn(C(=O)CCC(=O)OC)c2ccc(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
MTNR1A P48039 6/20 0.52
MTNR1B P49286 5/20 0.52
NQO2 P16083 1/20 0.52
AKR1C3 P42330 7/20 0.52
AKR1C2 P52895 2/20 0.47
HDAC3 O15379 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HTR2A P28223 1/20 0.44
AKR1C4 P17516 1/20 0.43
PTGS1 P23219 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL24877577 0.86 HTR6 (0.69) HTR6MTNR1AAKR1C3
SCHEMBL12352575 0.85 MTNR1A (0.69) HTR6MTNR1AMTNR1BNQO2AKR1C3
SCHEMBL24878464 0.84 OXER1 (0.49) HTR6
SCHEMBL24878461 0.78 AKR1C3 (0.53) HTR6MTNR1AMTNR1BNQO2AKR1C3
SCHEMBL3025302 0.78 HTR6 (0.73) HTR6MTNR1AMTNR1BAKR1C3AKR1C2
SCHEMBL23950130 0.77 MTNR1A (0.65) HTR6MTNR1AMTNR1BNQO2AKR1C3
SCHEMBL25251522 0.76 HTR6 (0.64) HTR6MTNR1A
SCHEMBL24877799 0.76 HTR6 (0.73) HTR6MTNR1AAKR1C3AKR1C2PPARG
SCHEMBL30859491 0.76 HTR6 (0.73) HTR6MTNR1AAKR1C3AKR1C2PPARG
SCHEMBL25778406 0.76 HTR6 (0.70) HTR6MTNR1A

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-2023283364-A2 N,N-DIMETHYLTRYPTAMINE AND RELATED PSYCHEDLICS AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-01-12 WO disclosed