SCHEMBL27363368

SCHEMBL27363368

CNC(=O)CCC(C=O)Nc1ccc(C2CCN(CCCCCCNC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.43
▸ CCR2 P41597 9/20 0.41
▸ ADRA2A P08913 1/20 0.40
▸ ADRB3 P13945 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ P2RY14 Q15391 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL27260355 0.81 NAMPT (0.51) —
SCHEMBL14619656 0.73 DRD2 (0.60) DRD2SIGMAR1
SCHEMBL24125410 0.72 NAMPT (0.40) —
SCHEMBL27091798 0.72 HDAC8 (0.55) DRD2ADRA2ASIGMAR1
SCHEMBL24753371 0.69 NAMPT (0.48) —
SCHEMBL3524057 0.68 DRD2 (0.66) DRD2SIGMAR1
SCHEMBL25031746 0.67 DRD2 (0.55) DRD2SIGMAR1
SCHEMBL6848549 0.67 CCR2 (0.50) DRD2CCR2ADRA2ASIGMAR1
SCHEMBL5510931 0.66 DRD2 (0.60) DRD2
SCHEMBL4572542 0.66 DRD2 (0.60) DRD2SIGMAR1

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-2024026083-A1 TARGETED PROTEIN DEGRADATION OF PARP14 FOR USE IN THERAPY RIBON THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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