SCHEMBL8091672

SCHEMBL8091672

c1ccc(CCCCCN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.97
CCR3 P51677 2/20 0.97
HRH3 Q9Y5N1 1/20 0.76
KCNH2 Q12809 1/20 0.76
MEN1 O00255 1/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
KMT2A Q03164 1/20 0.66
NAAA Q02083 1/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A4 P31645 1/20 0.65
TMEM97 Q5BJF2 1/20 0.65
PRMT3 O60678 1/20 0.65
CARM1 Q86X55 1/20 0.65
PRMT6 Q96LA8 1/20 0.65
PRMT1 Q99873 1/20 0.65

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
SCHEMBL7374609 0.98 SIGMAR1 (1.00) SIGMAR1CCR3HRH3KCNH2MEN1
Hydrochloric Acid SCHEMBL7407431 0.97 SIGMAR1 (0.97) SIGMAR1CCR3HRH3KCNH2MEN1
SCHEMBL7409408 0.94 SIGMAR1 (0.91) SIGMAR1CCR3HRH3KCNH2SLC6A2
Hydrochloric Acid SCHEMBL7404260 0.92 SIGMAR1 (0.88) SIGMAR1CCR3HRH3KCNH2SLC6A2
SCHEMBL7372248 0.90 CCR3 (0.84) SIGMAR1CCR3HRH3KCNH2CYP1A2
SCHEMBL7403790 0.87 CCR3 (1.00) SIGMAR1CCR3HRH3SLC6A4PRMT3
SCHEMBL20306196 0.87 SIGMAR1 (0.78) SIGMAR1CCR3HRH3KCNH2
SCHEMBL18764215 0.86 CARM1 (0.77) SIGMAR1CCR3HRH3KCNH2NAAA
SCHEMBL12040680 0.86 SIGMAR1 (0.73) SIGMAR1CCR3HRH3KCNH2MEN1
SCHEMBL7248136 0.86 KCNH2 (0.74) SIGMAR1CCR3HRH3KCNH2NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
US-6057371-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2000-05-02 US disclosed
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP disclosed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO disclosed