SCHEMBL11535612

SCHEMBL11535612

CC(CCc1ccc(F)cc1)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.65
GAA P10253 1/20 0.56
ATM Q13315 1/20 0.56
OPRK1 P41145 1/20 0.55
SIGMAR1 Q99720 1/20 0.54
KCNH2 Q12809 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DPP4 P27487 1/20 0.49

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
SCHEMBL10451642 0.90 BCHE (0.71) BCHEGAAATMOPRK1SIGMAR1
SCHEMBL11096038 0.90 BCHE (0.71) BCHEGAAATMOPRK1SIGMAR1
SCHEMBL11816814 0.85 BCHE (0.67) BCHEGAAATMOPRK1SIGMAR1
SCHEMBL11815017 0.84 OPRK1 (0.77) BCHEGAAATMOPRK1SIGMAR1
SCHEMBL14731886 0.83 TMEM97 (0.77) BCHEKCNH2TMEM97KMT2AMEN1
SCHEMBL11824647 0.81 BCHE (0.74) BCHEGAAATMSIGMAR1KMT2A
SCHEMBL28983267 0.80 BCHE (0.60) BCHEGAAATMOPRK1SIGMAR1
SCHEMBL14731718 0.79 TMEM97 (0.74) BCHEGAAATMSIGMAR1KCNH2
SCHEMBL9706053 0.78 ADRB2 (0.66) GAAOPRK1SIGMAR1KMT2AMEN1
SCHEMBL11463351 0.78 ADRB2 (0.66) GAAOPRK1SIGMAR1KMT2AMEN1

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
US-4140713-A Phenylethanolamine therapeutic agents ALLEN & HANBURYS LIMITED (GB) 1979-02-20 US disclosed