SCHEMBL3665876

SCHEMBL3665876

CN(CCO)Cc1ccccc1.CN(CCOc1cc(Br)ccc1N)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
IKBKB O14920 1/20 0.43
ATM Q13315 1/20 0.43
CCR5 P51681 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL1987646 0.94 LMNA (0.54) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL1985494 0.81 LMNA (0.41) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL1988447 0.75 ROCK2 (0.55) LMNAHTR1BGAAKDM4EL3MBTL1
SCHEMBL1992407 0.74 LMNA (0.49) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL3665879 0.74 LMNA (0.46) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL135868 0.73 CARM1 (0.64) LMNASMN1; SMN2TSHRKDM4ETMEM97
SCHEMBL3888894 0.73 LMNA (0.86) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL2053847 0.73 KDM4E (0.57) LMNAHTR1DHTR1BGAASMN1; SMN2
SCHEMBL3714084 0.72 ROCK2 (0.71) LMNAHTR1DHTR1BTSHR
Hydrochloric Acid SCHEMBL6509438 0.72 CARM1 (0.62) LMNASMN1; SMN2TSHRKDM4EL3MBTL1

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-2234618-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS The Scripps Research Institute (US) 2010-10-06 EP disclosed
WO-2009079008-A1 BENZOPYRANS AND ANALOGS AS RHO KINASE INHIBITORS FENG YANGBO (US) 2009-06-25 WO disclosed