SCHEMBL3150832

SCHEMBL3150832

CNC1(COc2cncc(-c3cc(OC)c(OC)c(OC)c3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACVR1B P36896 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
FYN P06241 2/20 0.39
MAP3K11 Q16584 3/20 0.39
BRD4 O60885 1/20 0.39
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
GAK O14976 1/20 0.36

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
Hydrochloric Acid SCHEMBL3774439 0.99 ACVR1B (0.39) ACVR1BTGFBR1ACVR1FYNMAP3K11
SCHEMBL3146461 0.84 FPR2 (0.39) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3767824 0.83 FPR2 (0.39) CYP11B1CYP11B2
SCHEMBL3151157 0.82 CHRNB1 (0.49) FYNCYP1A1CYP1B1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3147131 0.81 CHRNB1 (0.48) FYNCYP1A1CYP1B1CYP11B1CYP11B2
SCHEMBL3137034 0.81 INPPL1 (0.41) CYP1A1CYP1B1
SCHEMBL3150645 0.81 CYP11B1 (0.47) CYP11B1CYP11B2
SCHEMBL3147229 0.80 CHRNB2 (0.49) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3141660 0.80 CYP11B1 (0.46) CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL3765553 0.79 CHRNB2 (0.48) CYP11B1CYP11B2

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-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed