SCHEMBL4701265

SCHEMBL4701265

Cc1cc(C)c(-c2cccc3c(C(CCN)Cc4ccco4)n(C)nc23)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.30
MAPT P10636 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
SCHEMBL4702273 0.84 CRHR1 (0.40) CRHR1ALDH1A1MAPT
SCHEMBL4697907 0.80 MAPT (0.31) KDM4EALDH1A1PKMHPGDTSHR
SCHEMBL4698858 0.80 CRHR1 (0.45) CRHR1
SCHEMBL4702334 0.79 CRHR1 (0.41) CRHR1
SCHEMBL4702629 0.79 CRHR1 (0.35) CRHR1KDM4EALDH1A1MAPT
SCHEMBL4701268 0.78 CRHR1 (0.37) CRHR1KDM4EALDH1A1HPGDTSHR
SCHEMBL27615415 0.74
SCHEMBL3364667 0.72 CRHR1 (0.40) CRHR1KDM4EHSD17B10MAPT
SCHEMBL4701262 0.71 CRHR1 (0.49) CRHR1TSHRMAPT
SCHEMBL4701270 0.70 CHRM2 (0.39) CRHR1KDM4EALDH1A1HPGDTSHR

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