SCHEMBL11623964

SCHEMBL11623964

OCCCC1=CCc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
SIGMAR1 Q99720 1/20 0.38
HTR7 P34969 1/20 0.34
MAPT P10636 1/20 0.33
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LTA4H P09960 1/20 0.31
EPHX2 P34913 1/20 0.31
NQO2 P16083 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7430966 0.95 HTR6 (0.46) HTR6SIGMAR1HTR7MAPTMTNR1A
SCHEMBL8952468 0.89 HTR6 (0.54) HTR6SIGMAR1HTR7MTNR1AMTNR1B
SCHEMBL3868123 0.88 HTR6 (0.53) HTR6SIGMAR1HTR7MAPTMTNR1A
SCHEMBL3874874 0.88 HTR6 (0.53) HTR6SIGMAR1HTR7MAPTMTNR1A
SCHEMBL31121639 0.84 HTR6 (0.56) HTR6SIGMAR1HTR7MTNR1AMTNR1B
SCHEMBL2338975 0.84 HTR6 (0.56) HTR6SIGMAR1HTR7MTNR1AMTNR1B
SCHEMBL20430497 0.81 HTR6 (0.47) HTR6SIGMAR1HTR7POLB
SCHEMBL16340383 0.81 HTR6 (0.47) HTR6SIGMAR1HTR7MAPT
SCHEMBL6683873 0.81 HTR6 (0.51) HTR6SIGMAR1HTR7
SCHEMBL29663816 0.81 HTR6 (0.47) HTR6SIGMAR1HTR7POLB

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-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