SCHEMBL21456466

SCHEMBL21456466

c1cc(N2C3CCC2CNC3)cc(CCCOCCOC2CCCCO2)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
MET P08581 1/20 0.30
CNR2 P34972 1/20 0.30
TGFBR1 P36897 1/20 0.30

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
SCHEMBL29838231 0.82 KDM4C (0.38) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL21405424 0.82 KDM4C (0.38) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL21456465 0.81 KDM4C (0.35) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL21405035 0.80 OPRM1 (0.41) OPRM1HTR2AHTR2CHTR2B
SCHEMBL21456184 0.73 OPRM1 (0.46) OPRM1HTR2AHTR2CHTR2B
SCHEMBL29790350 0.72 GPR119 (0.36) CNR2
SCHEMBL6714850 0.66 MEN1 (0.44) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL13455405 0.66 MEN1 (0.44) KDM4CL3MBTL1NPC1RAB9AMEN1
SCHEMBL21405149 0.66 OPRM1 (0.42) L3MBTL1OPRM1CNR2
SCHEMBL18105861 0.65 KDM4C (0.43) KDM4CL3MBTL1NPC1RAB9AMEN1

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
WO-2021067606-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-04-08 WO disclosed
WO-2019195201-A1 BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed