SCHEMBL17911345

SCHEMBL17911345

CC(C)N1[C]N(C(C)C)c2cc(OCCCCCCCCCCCCN=[N+]=[N-])ccc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESRRG P62508 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 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
SCHEMBL17911344 1.00 ADRB2 (0.35) ADRB2ABCG2CNR1CNR2HDAC2
SCHEMBL22179018 0.79 ADRB2 (0.36) ADRB2ABCG2CNR1CNR2ESR1
SCHEMBL14189707 0.73 KCNA3 (0.43) ADRB2ESR1ESRRG
SCHEMBL14189705 0.72 KCNA3 (0.44) ADRB2ESR1ESRRG
SCHEMBL15923042 0.71 DRD2 (0.49) ADRB2
SCHEMBL15923228 0.70 MAPT (0.45) ADRB2HDAC2HDAC8ESR1ESRRG
SCHEMBL24675205 0.68 KDM4E (0.41) CNR1CNR2
Iodide SCHEMBL16516486 0.68 ADRB2 (0.32) ADRB2
SCHEMBL15924994 0.68 DRD2 (0.51) RAB9A
SCHEMBL23366511 0.68 ADRB2 (0.33) ADRB2ESR1ESRRG

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240173741-A1 Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2024-05-30 — — US disclosed
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 — — US disclosed
US-11383266-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2022-07-12 — — US disclosed
US-20160199875-A1 Carbene-Functionalized Composite Materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2016-07-14 — — US disclosed
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