SCHEMBL6683873

SCHEMBL6683873

NCCCC1=CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
HTR7 P34969 1/20 0.44
HTR2A P28223 2/20 0.40
HRH1 P35367 1/20 0.40
SIGMAR1 Q99720 1/20 0.38
MAOA P21397 1/20 0.35
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PNMT P11086 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
SCHEMBL6666869 0.95 HTR6 (0.50) HTR6HTR7HTR2AHRH1SIGMAR1
SCHEMBL3862943 0.89 HTR6 (0.59) HTR6HTR7HTR2AHRH1SIGMAR1
SCHEMBL31547775 0.89 HTR6 (0.59) HTR6HTR7HTR2AHRH1SIGMAR1
SCHEMBL3868123 0.88 HTR6 (0.53) HTR6HTR7SIGMAR1MAOA
SCHEMBL3874874 0.88 HTR6 (0.53) HTR6HTR7SIGMAR1MAOA
SCHEMBL31121639 0.84 HTR6 (0.56) HTR6HTR7SIGMAR1MAOA
SCHEMBL2338975 0.84 HTR6 (0.56) HTR6HTR7SIGMAR1MAOA
SCHEMBL11623964 0.81 HTR6 (0.47) HTR6HTR7SIGMAR1
SCHEMBL16340383 0.81 HTR6 (0.47) HTR6HTR7SIGMAR1PNMT
SCHEMBL20430497 0.81 HTR6 (0.47) HTR6HTR7SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359916-A4 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-04-07 EP disclosed
EP-1359916-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS Bristol-Myers Squibb Company (US) 2003-11-12 EP disclosed
WO-2002058704-A1 IMIDAZOLYL DERIVATIVES AS CORTICOTROPIN RELEASING FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed
US-4127578-A Diene intermediates for indantetrols E. R. SQUIBB & SONS, INC. (US) 1978-11-28 US disclosed
US-4092318-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1978-05-30 US disclosed
US-4044040-A HYPERTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1977-08-23 US disclosed