SCHEMBL18622305

SCHEMBL18622305

CC1(C)CCCC(C(=O)c2ncccn2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ MCL1 Q07820 1/20 0.30
▸ POLB P06746 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
SCHEMBL18622343 0.84 TSHR (0.34) POLB
SCHEMBL15858725 0.79 ABL1 (0.34) —
SCHEMBL18622329 0.78 HCRTR1 (0.35) POLB
SCHEMBL15500910 0.76 CNR2 (0.37) CNR2POLB
SCHEMBL15500820 0.73 KMO (0.31) —
SCHEMBL22175290 0.73 ALDH1A1 (0.33) POLB
SCHEMBL18622341 0.73 NPC1 (0.35) POLB
SCHEMBL15500944 0.72 L3MBTL1 (0.38) POLB
SCHEMBL18622303 0.71 MCL1 (0.60) CYP2D6CNR2MCL1
SCHEMBL15858777 0.71 MGLL (0.33) —

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
US-9595683-B2 Organometallic compounds and organic light emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-14 — — US disclosed
US-9595683-B2 Organometallic compounds and organic light emitting devices including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-14 — — US disclosed
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