SCHEMBL31555893

SCHEMBL31555893

O=C(OCc1ccccc1)N1CC[C@]2(C1)CC2(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KDM1A O60341 3/20 0.51
RORC P51449 3/20 0.49
CYP2C19 P33261 1/20 0.49
ENPP2 Q13822 1/20 0.47
ATXN2 Q99700 1/20 0.47
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
ACACB O00763 1/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 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
SCHEMBL31555903 1.00 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL30966754 1.00 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL22468466 0.91 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL20669134 0.85 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1182778 0.85 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31162009 0.85 KDM1A (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31161624 0.84 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31314094 0.84 MEN1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL20669170 0.84 KDM1A (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL20669164 0.83 TACR1 (0.45) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-2025085852-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-04-24 WO disclosed