SCHEMBL29322341

SCHEMBL29322341

O=C(CCc1ccc(C(F)(F)F)cc1)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.66
NPC1 O15118 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
NAAA Q02083 1/20 0.60
CNR1 P21554 1/20 0.58
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 2/20 0.55
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL22813668 0.98 HRH3 (0.67) HRH3NPC1TDP1NAAACNR1
SCHEMBL2830960 0.87 L3MBTL3 (0.65) HRH3NPC1TDP1NAAACNR1
SCHEMBL1587910 0.87 HRH3 (0.64) HRH3NPC1TDP1NAAACNR1
SCHEMBL15317644 0.83 NPC1 (0.64) HRH3NPC1TDP1NAAATSHR
SCHEMBL23252437 0.83 HRH3 (0.64) HRH3NPC1TDP1CNR1HPGD
SCHEMBL13900106 0.83 NPC1 (0.68) NPC1TDP1NAAATSHRALDH1A1
SCHEMBL12895459 0.81 NPC1 (0.57) HRH3NPC1TDP1NAAATSHR
SCHEMBL2291093 0.81 GFER (0.67) HRH3NPC1TDP1CNR1MEN1
SCHEMBL3457723 0.81 HRH3 (0.68) HRH3CNR1TSHR
SCHEMBL4379406 0.80 HRH3 (1.00) HRH3CNR1

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-2024145931-A1 SMALL MOLECULE INHIBITOR FOR β-CATENIN/BCL9 PROTEIN-PROTEIN INTERACTION AND USE THEREOF 上海医药工业研究院有限公司 2024-07-11 WO disclosed