SCHEMBL3344537

SCHEMBL3344537

COc1cccc(C(C)NCc2cccnc2)c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 11/20 0.71
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CLK4 Q9HAZ1 3/20 0.50
TSHR P16473 2/20 0.50
ALOX15 P16050 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL2462030 1.00 CASR (0.71) CASRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3923302 0.82 CASR (0.66) CASRCLK4MAPK1
SCHEMBL3930540 0.82 CASR (0.65) CASRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3923428 0.81 CASR (0.67) CASRCLK4LMNAMAPK1HTT
SCHEMBL3923099 0.81 CASR (0.74) CASRCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15162367 0.80 SMN1; SMN2 (0.58) HSD17B10ALDH1A1TP53SMN1; SMN2HTT
SCHEMBL3923152 0.80 CASR (0.88) CASRLMNAHTT
SCHEMBL3959603 0.79 CASR (0.75) CASRCYP3A4ALDH1A1LMNAHTT
SCHEMBL3920463 0.78 CASR (0.58) CASR
SCHEMBL15130965 0.78 CASR (0.82) CASRALDH1A1SMN1; SMN2HTT

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
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO claimed
WO-2010042642-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2010-04-15 WO disclosed