SCHEMBL8686221

SCHEMBL8686221

CCC(C1CC1)N(Cc1ccc(COC(C)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)c(C)s1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
KMT2A Q03164 1/20 0.37
CRHR1 P34998 6/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
S1PR4 O95977 1/20 0.34
CNR1 P21554 2/20 0.33
RORC P51449 1/20 0.33
CMKLR1 Q99788 1/20 0.32

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
Hydrochloric Acid SCHEMBL8683859 0.99 CDC7 (0.38) CDC7DBF4KMT2ACRHR1MAPT
SCHEMBL8684082 0.89 MAPT (0.44) CDC7DBF4KMT2ACRHR1MAPT
SCHEMBL8682538 0.87 CRHR1 (0.39) CDC7DBF4KMT2ACRHR1
SCHEMBL8683102 0.87 CRHR1 (0.40) KMT2ACRHR1
SCHEMBL8681816 0.87 KMT2A (0.39) CDC7DBF4KMT2ACRHR1MAPT
SCHEMBL8681648 0.86 CRHR1 (0.39) KMT2ACRHR1
SCHEMBL8683986 0.85 CRHR1 (0.38) KMT2ACRHR1CNR1CMKLR1
SCHEMBL8681658 0.84 CRHR1 (0.41) CDC7DBF4KMT2ACRHR1MAPT
SCHEMBL8687481 0.84 CRHR1 (0.39) KMT2ACRHR1CMKLR1
Hydrochloric Acid SCHEMBL8683856 0.83 CRHR1 (0.41) CDC7DBF4KMT2ACRHR1MAPT

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-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed