SCHEMBL7323009

SCHEMBL7323009

CC(C)N1CCCC(c2cccc(O)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.66
DRD2 P14416 4/20 0.66
SIGMAR1 Q99720 3/20 0.61
DRD4 P21917 3/20 0.61
NFKB1 P19838 1/20 0.61
PRCP P42785 1/20 0.61
EBP Q15125 1/20 0.61
HTR1A P08908 1/20 0.51
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51

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
SCHEMBL11270759 0.85 DRD3 (0.53) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL26287153 0.85 DRD3 (0.50) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL2389123 0.82 DRD2 (0.60) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL21323287 0.82 DRD2 (0.63) DRD3DRD2DRD4DRD1DRD5
SCHEMBL2603277 0.82 DRD2 (0.63) DRD3DRD2DRD4DRD1DRD5
SCHEMBL17658922 0.82 DRD2 (0.63) DRD3DRD2DRD4DRD1DRD5
SCHEMBL11624785 0.81 DRD2 (0.56) DRD3DRD2
SCHEMBL24310013 0.81 DRD3 (0.70) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL7354726 0.81 DRD3 (0.70) DRD3DRD2SIGMAR1DRD4NFKB1
SCHEMBL29567496 0.81 DRD3 (0.70) DRD3DRD2SIGMAR1DRD4NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4426386-A CNS DISORDERS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1984-01-17 US claimed
EP-0030526-A1 New phenyl-azacycloalkanes, processes for preparation and pharmaceutical preparations for such compounds Astra Läkemedel Aktiebolag (SE) 1981-06-17 EP claimed
WO-1981001552-A1 NEW PHENYL-AZACYCLOALKANES ASTRA LAEKEMEDEL AB (SE) 1981-06-11 WO claimed
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
US-4937346-A Phenyl-azacykloalkanes Carlsson, Per Arvid Emil (SE) 1990-06-26 US disclosed
EP-0084920-B1 NEW COMPOUNDS USEFUL AS INTERMEDIATES OR STARTING MATERIALS FOR PREPARATION OF THERAPEUTICALLY USEFUL PHENYL-AZACYCLOALKANES Carlsson, Per Arvid Emil (SE) 1989-04-19 EP disclosed
US-4719219-A Phenyl-azacycloalkanes and use thereof in treatment of central nervous system disorders Carlsson, Per A. E. (SE) 1988-01-12 US disclosed
US-4426386-A CNS DISORDERS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1984-01-17 US disclosed
EP-0084920-A2 New compounds useful as intermediates or starting materials for preparation of therapeutically useful phenyl-azacycloalkanes Carlsson, Per Arvid Emil (SE) 1983-08-03 EP disclosed
EP-0030526-A1 New phenyl-azacycloalkanes, processes for preparation and pharmaceutical preparations for such compounds Astra Läkemedel Aktiebolag (SE) 1981-06-17 EP disclosed
WO-1981001552-A1 NEW PHENYL-AZACYCLOALKANES ASTRA LAEKEMEDEL AB (SE) 1981-06-11 WO disclosed