SCHEMBL26721665

SCHEMBL26721665

COc1ccc2c(c1)N(C(C)C1CCC1)C(C)N2C(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ IDH2 P48735 1/20 0.32

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
SCHEMBL24613028 0.85 — —
SCHEMBL24613003 0.84 CYP1A2 (0.38) LMNAMEN1KMT2A
SCHEMBL26721979 0.82 MEN1 (0.35) MEN1KMT2ASIGMAR1
SCHEMBL24613008 0.80 OPRM1 (0.36) MEN1GAATSHRHTTKMT2A
SCHEMBL24613027 0.80 MEN1 (0.30) MEN1KMT2A
SCHEMBL16525723 0.77 GPR88 (0.37) —
SCHEMBL21216242 0.75 KDM2B (0.35) LMNAKDM2BMEN1GAATSHR
SCHEMBL24613055 0.73 KCNJ6 (0.33) HTR2C
SCHEMBL24613006 0.68 ACACB (0.34) LMNA
SCHEMBL24613009 0.67 OPRM1 (0.36) GAAHTR2C

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
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 — — US disclosed
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