SCHEMBL7429285

SCHEMBL7429285

CC(=O)n1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.73
TMEM97 Q5BJF2 1/20 0.66

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
SCHEMBL7441920 0.87 SIGMAR1 (0.76) SIGMAR1TMEM97
SCHEMBL7434746 0.85 SIGMAR1 (0.67) SIGMAR1TMEM97
SCHEMBL7435844 0.84 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL7430488 0.81 SIGMAR1 (0.68) SIGMAR1TMEM97
SCHEMBL7434839 0.81 SIGMAR1 (0.68) SIGMAR1TMEM97
Oxalic Acid SCHEMBL8557007 0.81 SIGMAR1 (0.73) SIGMAR1TMEM97
SCHEMBL7444068 0.80 SIGMAR1 (0.87) SIGMAR1TMEM97
Siramesine SCHEMBL29358736 0.80 TMEM97 (1.00) SIGMAR1TMEM97
SCHEMBL7436649 0.80 SIGMAR1 (0.80) SIGMAR1TMEM97
Siramesine SCHEMBL2090079 0.80 TMEM97 (1.00) SIGMAR1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US claimed
US-6031099-A Piperidine derivates having anxiolytic effect H. LUNDBECK A/S (DK) 2000-02-29 US disclosed
US-5807871-A PSYCHOLOGICAL DISORDERS, ALZHEIMER OR PARKINSON DISEASE H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0593511-B1 PIPERIDINE DERIVATES HAVING ANXIOLYTIC EFFECT LUNDBECK & CO AS H (DK) 1998-09-02 EP disclosed
US-5665725-A Piperidine derivatives having anxiolytic effect Lundbeck, H. (DK) 1997-09-09 US disclosed
EP-0518805-A1 Piperidine derivatives H. LUNDBECK A/S (DK) 1992-12-16 EP disclosed