SCHEMBL7307577

SCHEMBL7307577

CC(C)n1nnnc1CCCOc1cccc2ccc(=O)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA9 Q16790 3/20 0.33
CCR1 P32246 2/20 0.33
KCNH2 Q12809 2/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 3/20 0.31
MCL1 Q07820 2/20 0.31
ALB P02768 1/20 0.31
BCL2 P10415 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
MCHR1 Q99705 1/20 0.30

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
SCHEMBL7308277 0.86 CA12 (0.35) CA12CA9CCR1KCNH2POLB
SCHEMBL7316730 0.78 PDE3B (0.49) MEN1KMT2ADRD2
SCHEMBL7341497 0.77 PDE3B (0.43) CA12CA9KCNH2MEN1KMT2A
SCHEMBL10064553 0.73 MCHR1 (0.48) CA12CA9DRD2MCHR1
SCHEMBL7312825 0.72 KDM4E (0.33) MEN1KMT2A
SCHEMBL9820774 0.72 MCHR1 (0.49) CA12CA9MEN1KMT2AMCHR1
SCHEMBL7316415 0.69 MCL1 (0.36) DRD2MCL1ALBBCL2DRD4
SCHEMBL7318084 0.68 TSHR (0.46) MEN1KMT2A
SCHEMBL11864174 0.67 HTR1B (0.43) CA12CA9KMT2ADRD2
SCHEMBL11226436 0.67 DRD2 (0.40) MEN1KMT2ADRD2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed