SCHEMBL7363979

SCHEMBL7363979

[O-][N+]1(CCc2ccccc2)CCNC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
CHRM3 P20309 2/20 0.36
CYP2D6 P10635 1/20 0.36
OPRM1 P35372 1/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL6688133 0.82 SIGMAR1 (0.39) SIGMAR1SLC6A4SLC6A3SLC6A2MEN1
SCHEMBL3683455 0.76 CYP2D6 (0.44) SIGMAR1SLC6A3CHRM3CYP2D6OPRM1
SCHEMBL8665506 0.76 GLA (0.35) SIGMAR1CYP2D6MAPTGBA1
SCHEMBL6926932 0.74 SIGMAR1 (0.46) SIGMAR1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL917006 0.74 CYP2D6 (0.42) SIGMAR1SLC6A3CHRM3CYP2D6OPRM1
Hydrochloric Acid SCHEMBL10944858 0.73 SIGMAR1 (0.44) SIGMAR1SLC6A4SLC6A3SLC6A2MEN1
SCHEMBL365799 0.67
SCHEMBL7782665 0.67 SIGMAR1 (0.37) SIGMAR1SLC6A4SLC6A2CYP2D6MEN1
SCHEMBL10005292 0.66 CHRM3 (0.58) SLC6A3CHRM3CYP2D6HSD17B10MAOA
Piperazine SCHEMBL1764131 0.66 SIGMAR1 (0.55) SIGMAR1SLC6A4SLC6A3SLC6A2HSD17B10

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-5459145-A Calcium independent camp phosphodiesterase inhibitor antidepressant PFIZER INC. (US) 1995-10-17 US disclosed
US-5294730-A A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives PFIZER INC. (US) 1994-03-15 US disclosed
EP-0247725-B1 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER (US) 1994-03-02 EP disclosed
US-5196426-A CALCIUM INDEPENDENT C AMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1993-03-23 US disclosed
EP-0247725-A2 Calcium independent camp phosphodiestrerase inhibitor antidepressant PFIZER INC. (US) 1987-12-02 EP disclosed
WO-1987006576-A1 CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT PFIZER INC. (US) 1987-11-05 WO disclosed