SCHEMBL30797302

SCHEMBL30797302

O=C(NCCCl)Nc1ccc(C2COC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.41
JAK3 P52333 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL30797103 0.89 CNR1 (0.43) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6688374 0.83 HDAC3 (0.51) NPC1RAB9ASMN1; SMN2MITFJAK3
SCHEMBL23747576 0.79 RAB9A (0.61) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6690096 0.75 MAOA (0.53) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10939812 0.75 CNR1 (0.70) CNR1NPC1RAB9ASMN1; SMN2
SCHEMBL15420541 0.75 HDAC3 (0.42) NPC1RAB9ASMN1; SMN2MITFJAK3
SCHEMBL17912894 0.73 CNR1 (0.63) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4708584 0.73 CNR1 (0.50) CNR1NPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL10802920 0.73 CNR1 (0.63) CNR1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8244860 0.73 CNR1 (0.63) CNR1NPC1RAB9AKMT2ALMNA

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-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed