SCHEMBL26107308

SCHEMBL26107308

O=CC=CN1CCN(c2ncccc2C(=O)c2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.41
▸ HTR1D P28221 1/20 0.41
▸ HTR1B P28222 1/20 0.41
▸ HSD11B1 P28845 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TRPV1 Q8NER1 5/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ F13A1 P00488 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ TGM1 P22735 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CA12 O43570 1/20 0.37

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
SCHEMBL26107989 0.86 HTR1A (0.40) HTR1AHTR1DHTR1BHSD11B1ALDH1A1
SCHEMBL26106545 0.85 KDM4E (0.45) HSD11B1ALDH1A1KDM4ELMNAMAPT
SCHEMBL30591753 0.82 HSD11B1 (0.44) HTR1AHTR1DHTR1BHSD11B1ALDH1A1
SCHEMBL26105982 0.82 HSD11B1 (0.44) HTR1AHTR1DHTR1BHSD11B1ALDH1A1
SCHEMBL26107616 0.78 HSD11B1 (0.41) HSD11B1TRPV1F13A1TGM2TGM1
SCHEMBL26106788 0.78 HSD11B1 (0.41) HSD11B1TRPV1F13A1TGM2TGM1
SCHEMBL26497738 0.74 GAA (0.42) HTR1AHTR1DHTR1BHSD11B1ALDH1A1
SCHEMBL26108503 0.73 PDE10A (0.37) HSD11B1TRPV1
SCHEMBL26103628 0.72 CNR2 (0.45) HSD11B1KDM4EMAPTHTTTRPV1
SCHEMBL26104302 0.71 SCN10A (0.44) HSD11B1ALDH1A1KDM4ELMNAMAPT

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-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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