SCHEMBL8518578

SCHEMBL8518578

CCc1c(-c2c(C)cc(C)cc2C)nn(CC)c1C(=O)NCCCCC1CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CRHR1 P34998 4/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RORC P51449 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ NAMPT P43490 2/20 0.31
▸ KIT P10721 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ CYP3A4 P08684 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
SCHEMBL7597573 0.72 KMT2A (0.40) KMT2ACRHR1MAPT
Hydrochloric Acid SCHEMBL7868719 0.64 CRHR1 (0.40) CRHR1
SCHEMBL23996108 0.62 TYK2 (0.40) CRHR1NAMPTKITMAPK14
SCHEMBL23996106 0.61 TYK2 (0.39) CRHR1NAMPTKITMAPK14
SCHEMBL23996109 0.58 TYK2 (0.40) CRHR1NAMPTKITMAPK14
SCHEMBL23471410 0.57 KDM4E (0.60) KDM4ENAMPT
SCHEMBL23471393 0.56 KDM4E (0.64) KDM4ENAMPT
SCHEMBL1004037 0.56 ALDH1A1 (0.63) MEN1KMT2ALMNATP53MAPT
SCHEMBL14117366 0.56 SMN1; SMN2 (0.49) LMNAKDM4E
SCHEMBL936681 0.55 SCD (0.49) —

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-5973152-A Certain pyrazole derivatives as corticotropin-releasing factor receptor CRF1 specific ligands NEUROGEN CORPORATION 1999-10-26 — — US disclosed
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