SCHEMBL7943971

SCHEMBL7943971

c1ccc(-c2ccc(C3CCOCC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KDM1A O60341 3/20 0.44
MAOB P27338 1/20 0.44
BRD4 O60885 1/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
PRKAB2 O43741 4/20 0.41
PRKAG1 P54619 4/20 0.41
PRKAA2 P54646 4/20 0.41
PRKAA1 Q13131 4/20 0.41
PRKAG3 Q9UGI9 4/20 0.41
PRKAG2 Q9UGJ0 4/20 0.41
PRKAB1 Q9Y478 4/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41

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
SCHEMBL1443076 0.87 SLC18A3 (0.54) KDM1AMAOBSLC18A3SIGMAR1MEN1
Ammonia Solution, Strong SCHEMBL16296636 0.85 SLC18A3 (0.52) KDM1AMAOBSLC18A3SIGMAR1MEN1
SCHEMBL15757454 0.84 NPC1 (0.70) NPC1RAB9AKDM1AMAOBBRD4
Fluoride SCHEMBL28559395 0.83 NPC1 (0.58) NPC1RAB9AKDM1AMAOBBRD4
Fluoride SCHEMBL28552116 0.83 NPC1 (0.58) NPC1RAB9AKDM1AMAOBBRD4
Ammonia Solution, Strong SCHEMBL2454353 0.82 NPC1 (0.68) NPC1RAB9AKDM1AMAOBBRD4
SCHEMBL15758248 0.80 NPC1 (0.60) NPC1RAB9AKDM1AMAOBBRD4
SCHEMBL14880676 0.80 NPC1 (0.60) NPC1RAB9AKDM1AMAOBBRD4
SCHEMBL30824490 0.80 S1PR1 (0.49) HDAC3HDAC1HDAC2PRKAB2PRKAG1
SCHEMBL19094052 0.79 SLC18A3 (0.47) SLC18A3SIGMAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12351924-B2 Electroreductive cross coupling OHIO STATE INNOVATION FOUNDATION (US) 2025-07-08 US disclosed
US-20230250539-A1 ELECTROREDUCTIVE CROSS COUPLING OHIO STATE INNOVATION FOUNDATION 2023-08-10 US disclosed
WO-2010038167-A1 OXOPIPERIDINYL AND PYRANYL SULFONAMIDES AS AMPA POTENTIATORS PFIZER INC. (US) 2010-04-08 WO disclosed