SCHEMBL6950666

SCHEMBL6950666

CCC(CO)Nc1cc(C)nc2ccc(-c3c(C)cc(C)cc3C)cc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.42
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CYP2C19 P33261 1/20 0.35
FYN P06241 2/20 0.35
LATS1 O95835 1/20 0.35
LATS2 Q9NRM7 1/20 0.35
NPC1 O15118 1/20 0.35
NQO2 P16083 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6638659 0.93 CRHR1 (0.48) CRHR1ALDH1A1POLBKDM4EMEN1
SCHEMBL6949178 0.77 CRHR1 (0.43) CRHR1KDM4E
SCHEMBL5599396 0.76 CRHR1 (0.53) CRHR1ALDH1A1POLBKDM4EMAPT
SCHEMBL6637915 0.74 CRHR1 (0.49) CRHR1
SCHEMBL27471056 0.72 ALDH1A1 (0.50) ALDH1A1POLBKDM4EMAPTMEN1
SCHEMBL5790387 0.71 CRHR1 (0.43) CRHR1
SCHEMBL6955172 0.70 CRHR1 (0.48) CRHR1LATS1LATS2LMNA
SCHEMBL5844686 0.68 CRHR1 (0.86) CRHR1
SCHEMBL5599426 0.68 CRHR1 (0.57) CRHR1MEN1KMT2A
SCHEMBL5844839 0.68 CRHR1 (0.68) CRHR1

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
EP-0977737-B1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP claimed