SCHEMBL7809212

SCHEMBL7809212

COc1ccc(CCN2CCCC(CCl)C2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
SIGMAR1 Q99720 4/20 0.50
EBP Q15125 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SMPD1 P17405 1/20 0.49
HTR1A P08908 1/20 0.49
SLC6A4 P31645 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ABCB1 P08183 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47

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 1.00 GAA (0.51) GAASIGMAR1EBPTMEM97SMPD1
SCHEMBL11073388 1.00 GAA (0.51) GAASIGMAR1EBPTMEM97SMPD1
Hydrochloric Acid SCHEMBL11079512 0.99 GAA (0.52) GAASIGMAR1EBPTMEM97SMPD1
SCHEMBL9208591 0.96 SIGMAR1 (0.52) GAASIGMAR1EBPTMEM97SMPD1
SCHEMBL7815093 0.88 MAPT (0.58) GAASIGMAR1EBPTMEM97SMPD1
SCHEMBL11076598 0.88 MAPT (0.58) GAASIGMAR1EBPTMEM97SMPD1
SCHEMBL6769203 0.88 SIGMAR1 (0.50) GAASIGMAR1EBPTMEM97SMPD1
SCHEMBL11075907 0.88 MAPT (0.58) GAASIGMAR1EBPTMEM97SMPD1
SCHEMBL9740208 0.88 HTR1A (0.52) GAASIGMAR1EBPTMEM97SMPD1
SCHEMBL8323528 0.88 ALDH1A1 (0.59) GAASIGMAR1MEN1KMT2AALDH1A1

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-0663395-B1 3-(phenylalkylaminoalkyloxy)-5-phenylpyrazole derivatives, process and intermediates for their preparation and their use as cardiac rhythm reduction agent SOLVAY PHARM GMBH (DE) 2001-05-16 EP disclosed
US-5679699-A ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS KALI-CHEMIE PHARMA GMBH (DE) 1997-10-21 US disclosed
US-5547967-A HYPOTENSIVE AGENT, ANTIISCHEMIC AGENT KALI-CHEMIE PHARMA GMBH (DE) 1996-08-20 US disclosed
EP-0663395-A1 3-(phenylalkylaminoalkyloxy)-5-phenylpyrazole derivatives, process and intermediates for their preparation and their use as cardiac rhythm reduction agent Kali-Chemie Pharma GmbH (DE) 1995-07-19 EP disclosed
US-4481207-A CALCIUM ANTAGONISTS, HYPOTENSIVES SYNTHELABO (FR) 1984-11-06 US disclosed