SCHEMBL4701270

SCHEMBL4701270

Cc1cc(C)c(-c2cccc3c(CCCNCc4ccco4)n(C)nc23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALDH1A1 P00352 8/20 0.34
LMNA P02545 3/20 0.34
CRHR1 P34998 4/20 0.33
POLB P06746 4/20 0.33
HSD17B10 Q99714 4/20 0.33
HPGD P15428 4/20 0.33
KDM4E B2RXH2 4/20 0.33
USP2 O75604 4/20 0.33
MAPT P10636 3/20 0.33
ESR1 P03372 1/20 0.33
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4702271 0.84 CRHR1 (0.39) CRHR1POLBMEN1KMT2A
SCHEMBL4757562 0.83 SMN1; SMN2 (0.39) CYP1A2CYP2D6ALDH1A1LMNACRHR1
SCHEMBL4698855 0.81 CRHR1 (0.44) CYP1A2ALDH1A1LMNACRHR1HSD17B10
Hydrochloric Acid SCHEMBL4697950 0.80 CRHR1 (0.44) CYP1A2ALDH1A1LMNACRHR1HSD17B10
SCHEMBL4702341 0.80 CRHR1 (0.40) LMNACRHR1HRH4
SCHEMBL4700164 0.80 SCN8A (0.44) CRHR1
SCHEMBL4700554 0.80 DRD4 (0.34) CRHR1
SCHEMBL4702626 0.79 HEXA (0.43) POLBKDM4E
SCHEMBL4701263 0.79 CRHR1 (0.39) CRHR1
Trifluoroacetic Acid SCHEMBL4703706 0.78 MEN1 (0.40) LMNACRHR1POLBKDM4EMEN1

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-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed