SCHEMBL6964070

SCHEMBL6964070

CCN(Cc1ccccc1Cl)c1nnc(-c2c(C)cc(C)cc2C)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.38
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 4/20 0.34
S1PR1 P21453 1/20 0.34
NR3C1 P04150 1/20 0.33
MAPT P10636 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
HIF1A Q16665 1/20 0.32
BCHE P06276 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
SCHEMBL2020840 0.86 PYCR1 (0.35) CRHR1ALDH1A1MAPTL3MBTL1HTT
SCHEMBL6973837 0.85 CRHR1 (0.39) CRHR1
SCHEMBL2046515 0.84 CRHR1 (0.46) CRHR1MAPT
SCHEMBL6968788 0.84 CRHR1 (0.45) CRHR1NR3C1BCHE
SCHEMBL6968784 0.80 NR1H2 (0.38) CRHR1MAPT
SCHEMBL2019659 0.78 CRHR1 (0.51) CRHR1
SCHEMBL6963411 0.77 CRHR1 (0.51) CRHR1
SCHEMBL2019830 0.75 CSF1R (0.40) CRHR1
SCHEMBL2019402 0.72 CRHR1 (0.43) CRHR1MAPT
SCHEMBL2018947 0.72 CRHR1 (0.41) CRHR1NR3C1MAPTLMNAHIF1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946520-B1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORP (US) 2003-04-02 EP claimed
EP-0946520-B1 ISOQUINOLINAMINE AND PHTHALAZINAMINE DERIVATIVES WHICH INTERACT WITH CRF RECEPTORS NEUROGEN CORP (US) 2003-04-02 EP disclosed