SCHEMBL8092786

SCHEMBL8092786

CCC(NC(C)(C)c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL13900807 0.82 CACNA1F (0.53) LMNACACNA1FCHRM2CHRM1ADRA2B
SCHEMBL13950534 0.82 CACNA1F (0.53) LMNACACNA1FCHRM2CHRM1ADRA2B
SCHEMBL12201552 0.82 CACNA1F (0.53) LMNACACNA1FCHRM2CHRM1ADRA2B
SCHEMBL14149838 0.82 ALDH1A1 (0.35) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL24453542 0.77 CACNA1F (0.43) CACNA1FCHRM2CHRM1ADRA2BCHRM3
SCHEMBL2847032 0.75 LMNA (0.52) LMNAHRH1KDM4EALDH1A1HPGD
SCHEMBL6226291 0.75 CHRM2 (0.44) LMNACACNA1FCHRM2CHRM1ADRA2B
Hydrochloric Acid SCHEMBL28219699 0.74 TAAR1 (0.39) KCNN4
SCHEMBL13900496 0.72 RIPK1 (0.41) LMNACACNA1FCHRM2CHRM1ADRA2B
SCHEMBL17040091 0.71 LMNA (0.36) LMNACACNA1FCHRM2CHRM1ADRA2B

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
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 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
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO disclosed