SCHEMBL9208591

SCHEMBL9208591

COc1ccc(CCN2CCCCC(CCl)C2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.52
EBP Q15125 2/20 0.49
TMEM97 Q5BJF2 1/20 0.49
SMPD1 P17405 1/20 0.48
HTR1A P08908 1/20 0.48
SLC6A4 P31645 1/20 0.48
GAA P10253 1/20 0.48
ABCB1 P08183 1/20 0.47
MAPK1 P28482 1/20 0.46
CHRM3 P20309 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL11071315 0.96 GAA (0.51) SIGMAR1EBPTMEM97SMPD1HTR1A
SCHEMBL7809212 0.96 GAA (0.51) SIGMAR1EBPTMEM97SMPD1HTR1A
SCHEMBL11073388 0.96 GAA (0.51) SIGMAR1EBPTMEM97SMPD1HTR1A
Hydrochloric Acid SCHEMBL11079512 0.95 GAA (0.52) SIGMAR1EBPTMEM97SMPD1HTR1A
SCHEMBL11076598 0.84 MAPT (0.58) SIGMAR1EBPTMEM97SMPD1HTR1A
SCHEMBL6769203 0.84 SIGMAR1 (0.50) SIGMAR1EBPTMEM97SMPD1HTR1A
SCHEMBL7815093 0.84 MAPT (0.58) SIGMAR1EBPTMEM97SMPD1HTR1A
SCHEMBL9740208 0.84 HTR1A (0.52) SIGMAR1EBPTMEM97SMPD1HTR1A
SCHEMBL11075907 0.84 MAPT (0.58) SIGMAR1EBPTMEM97SMPD1HTR1A
SCHEMBL8323528 0.84 ALDH1A1 (0.59) SIGMAR1GAAMEN1KMT2A

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
EP-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed