SCHEMBL21456465

SCHEMBL21456465

C(=C/c1cc(N2C3CCC2CNC3)ccn1)\COCCOC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL29838212 0.83 GPR119 (0.36) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL21405213 0.83 GPR119 (0.36) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL21456466 0.81 KDM4C (0.43) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL23205347 0.75 OPRM1 (0.40) OPRM1HTR2AHTR2CHTR2B
SCHEMBL29790382 0.73 GPR119 (0.35)
SCHEMBL7470872 0.64 MEN1 (0.36) KDM4CNPC1RAB9AL3MBTL1MEN1
SCHEMBL21456183 0.63 OPRM1 (0.41) RAB9AL3MBTL1MEN1KMT2AOPRM1
SCHEMBL21405149 0.62 OPRM1 (0.42) L3MBTL1OPRM1
SCHEMBL18095238 0.62 KMT2A (0.45) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL18095237 0.62 KMT2A (0.45) KDM4CNPC1RAB9AMEN1KMT2A

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