SCHEMBL9049446

SCHEMBL9049446

O=C1OCCC12CCCN(Cc1ccccc1)C2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
CYP2D6 P10635 8/20 0.49
CYP3A4 P08684 6/20 0.46
TSHR P16473 5/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL6628811 0.92 SIGMAR1 (0.48) SIGMAR1CYP2D6CYP3A4TSHRALDH1A1
SCHEMBL29960417 0.82 CYP2D6 (0.47) SIGMAR1CYP2D6CYP3A4TSHRALDH1A1
SCHEMBL17609064 0.76 CYP2D6 (0.56) SIGMAR1CYP2D6CYP3A4TSHRALDH1A1
SCHEMBL14359323 0.75 DOCK5 (0.57) SIGMAR1CYP2D6CYP3A4TSHRALDH1A1
SCHEMBL13100265 0.74 NR3C1 (0.50) SIGMAR1CYP2D6CYP3A4TSHRMEN1
Hydrochloric Acid SCHEMBL5422229 0.74 DOCK5 (0.56) SIGMAR1CYP2D6CYP3A4TSHRMEN1
SCHEMBL2915989 0.73 CYP2D6 (0.59) SIGMAR1CYP2D6CYP3A4TSHRALDH1A1
SCHEMBL3274284 0.71 CYP2D6 (0.50) SIGMAR1CYP2D6CYP3A4TSHRALDH1A1
SCHEMBL13090069 0.71 NR3C1 (0.52) SIGMAR1CYP2D6CYP3A4TSHRALDH1A1
SCHEMBL2344239 0.71 SIGMAR1 (0.56) SIGMAR1CYP2D6CYP3A4TSHRALDH1A1

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
EP-0287356-B1 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1996-01-24 EP disclosed
US-5132316-A Cognition activators BEECHAM GROUP P.L.C. (GB) 1992-07-21 US disclosed
US-4971975-A TREATMENT OF DEMENTIA; AZABICYCLOOCTANE COMPOUNDS BEECHAM GROUP PLC (GB) 1990-11-20 US disclosed
EP-0287356-A2 Bridgehead substituted azabicyclic derivatives BEECHAM GROUP PLC (GB) 1988-10-19 EP disclosed