SCHEMBL7756958

SCHEMBL7756958

c1ccc(CCCCCCCCCCNCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 1.00
MAOA P21397 1/20 0.83
CHRM2 P08172 1/20 0.80
BCHE P06276 1/20 0.68
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
SCHEMBL6014543 1.00 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL8097260 1.00 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL6014369 1.00 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL8092471 1.00 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL6014422 0.98 SIGMAR1 (1.00) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL4065566 0.91 SIGMAR1 (0.88) SIGMAR1MAOACHRM2BCHEGAA
SCHEMBL4642587 0.91 MAOA (1.00) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL16260102 0.91 MAOA (1.00) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL7202099 0.91 MAOA (1.00) SIGMAR1MAOACHRM2GAAMAPT
SCHEMBL8851048 0.91 MAOA (1.00) SIGMAR1MAOACHRM2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103420856-A Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2013-12-04 CN claimed
CN-103420856-B Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2015-07-01 CN disclosed
CN-103420856-B Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2015-07-01 CN disclosed
CN-103420856-A Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2013-12-04 CN disclosed
CN-103420856-A Salmeterol preparation method ASYMCHEM LAB TIANJIN CO LTD 2013-12-04 CN disclosed
EP-0821665-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 2001-10-04 EP disclosed
EP-1090908-A2 Cyclobutane derivatives as inhibitors of protein farnesyltransferase ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US disclosed