SCHEMBL8329233

SCHEMBL8329233

CN(CC#Cc1ccc(C2CCCCC2)c(Cl)c1)CCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.36
OPRM1 P35372 5/20 0.35
OPRD1 P41143 5/20 0.35
OPRK1 P41145 5/20 0.35
SIGMAR1 Q99720 6/20 0.35
TMEM97 Q5BJF2 1/20 0.35
EBP Q15125 1/20 0.35
PYCR1 P32322 1/20 0.34
SLC6A4 P31645 1/20 0.34
AOC3 Q16853 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
Hydrochloric Acid SCHEMBL7314216 0.99 OPRM1 (0.36) SLC18A3OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL8330350 0.89 PYCR1 (0.45) SLC18A3SIGMAR1TMEM97EBPPYCR1
Hydrochloric Acid SCHEMBL7310641 0.88 PYCR1 (0.44) SLC18A3SIGMAR1TMEM97EBPPYCR1
SCHEMBL26765552 0.78 SIGMAR1 (0.44) SIGMAR1TMEM97EBPSLC6A4
SCHEMBL8469003 0.78 SIGMAR1 (0.40) OPRM1SIGMAR1TMEM97EBP
SCHEMBL7326207 0.78 SIGMAR1 (0.48) SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL9151770 0.78 SIGMAR1 (0.43) SIGMAR1TMEM97EBPSLC6A4
Hydrochloric Acid SCHEMBL7323772 0.77 SIGMAR1 (0.40) OPRM1SIGMAR1TMEM97EBP
SCHEMBL26765546 0.76 SIGMAR1 (0.43) SIGMAR1TMEM97EBPSLC6A4
Hydrochloric Acid SCHEMBL9319142 0.75 SIGMAR1 (0.42) SIGMAR1TMEM97EBPSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1154483-C Use of amines to produce drugs for preventing tumour cell proliferation ��ŵ��-ʥ�������ɷ����޹�˾ 2004-06-23 CN disclosed
CN-1226825-A Use of amines to produce drugs for preventing tumour cell proliferation SANOFI SA (FR) 1999-08-25 CN disclosed
EP-0917464-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1999-05-26 EP disclosed
WO-1998004251-A1 USE OF AMINES TO PRODUCE DRUGS FOR PREVENTING TUMOUR CELL PROLIFERATION SANOFI (FR) 1998-02-05 WO disclosed