SCHEMBL15939017

SCHEMBL15939017

c1ccc(C(CCCN2CCCCC2)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.63
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL13430176 0.96 SIGMAR1 (0.62) SIGMAR1ALDH1A1
Hydrochloric Acid SCHEMBL3226265 0.95 SIGMAR1 (0.61) SIGMAR1
SCHEMBL15947394 0.95 SIGMAR1 (0.61) SIGMAR1
Hydrochloric Acid SCHEMBL15939186 0.94 SIGMAR1 (0.60) SIGMAR1
SCHEMBL16352696 0.88 SIGMAR1 (0.64) SIGMAR1
Hydrochloric Acid SCHEMBL15940315 0.87 SIGMAR1 (0.63) SIGMAR1
SCHEMBL13430183 0.85 SIGMAR1 (0.63) SIGMAR1
Hydrochloric Acid SCHEMBL18816299 0.84 SIGMAR1 (0.61) SIGMAR1
Hydrochloric Acid SCHEMBL3228375 0.84 SIGMAR1 (0.61) SIGMAR1
Hydrochloric Acid SCHEMBL15939200 0.82 SIGMAR1 (0.57) SIGMAR1CYP3A4

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-20140228375-A1 SIGMA RECEPTORS LIGANDS WITH ANTI-APOPTOTIC AND/OR PRO-APOPTOTIC PROPERTIES, OVER CELLULAR MECHANISMS, EXHIBITING PROTOTYPICAL CYTOPROTECTIVE AND ALSO ANTI-CANCER ACTIVITY ANAVEX LIFE SCIENCES CORP. (US) 2014-08-14 US claimed
US-9180106-B2 Sigma receptors ligands with anti-apoptotic and/or pro-apoptotic properties, over cellular mechanisms, exhibiting prototypical cytoprotective and also anti-cancer activity ANAVEX LIFE SCIENCES CORP. (US) 2015-11-10 US disclosed
US-20140228375-A1 SIGMA RECEPTORS LIGANDS WITH ANTI-APOPTOTIC AND/OR PRO-APOPTOTIC PROPERTIES, OVER CELLULAR MECHANISMS, EXHIBITING PROTOTYPICAL CYTOPROTECTIVE AND ALSO ANTI-CANCER ACTIVITY ANAVEX LIFE SCIENCES CORP. (US) 2014-08-14 US disclosed