SCHEMBL9740208

SCHEMBL9740208

COc1ccc(CCN2CCCC(CBr)C2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.52
SLC6A4 P31645 1/20 0.52
SIGMAR1 Q99720 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
EBP Q15125 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SMPD1 P17405 1/20 0.49
GAA P10253 2/20 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
SCHEMBL11073388 0.88 GAA (0.51) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL6769203 0.88 SIGMAR1 (0.50) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL7815093 0.88 MAPT (0.58) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL11076598 0.88 MAPT (0.58) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL11075907 0.88 MAPT (0.58) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL7809212 0.88 GAA (0.51) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL11071315 0.88 GAA (0.51) HTR1ASLC6A4SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL11079512 0.87 GAA (0.52) HTR1ASLC6A4SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL11076058 0.87 MAPT (0.57) HTR1ASLC6A4SIGMAR1MEN1KMT2A
SCHEMBL9208591 0.84 SIGMAR1 (0.52) HTR1ASLC6A4SIGMAR1MEN1KMT2A

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed