SCHEMBL30265657

SCHEMBL30265657

CC(C)N(C)C(=O)c1cc(F)ccc1-n1cc(C2CCC(O)CC2)c2ccncc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.35
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
HTR1B P28222 1/20 0.33
HTR6 P50406 1/20 0.33
RORC P51449 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL31001726 1.00 DRD2 (0.35) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL19972697 1.00 DRD2 (0.35) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL19972433 1.00 DRD2 (0.35) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL19972580 1.00 DRD2 (0.35) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL31001669 1.00 DRD2 (0.35) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL30524057 0.93 HTR1A (0.33) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL30265695 0.93 HTR1A (0.33) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL19972428 0.93 HTR1A (0.33) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL19972429 0.93 HTR1A (0.33) DRD2HCRTR1HCRTR2PTGDR2CYP3A4
SCHEMBL19972707 0.93 HTR1A (0.33) DRD2HCRTR1HCRTR2PTGDR2CYP3A4

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
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN claimed
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN disclosed