SCHEMBL5570100

SCHEMBL5570100

COc1ccc(CNCCNC(C)=O)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.65
CD274 Q9NZQ7 5/20 0.61
PDCD1 Q15116 4/20 0.61
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DPP7 Q9UHL4 1/20 0.53

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
SCHEMBL22556655 0.89 APLNR (0.65) APLNRCD274PDCD1HTR2AHTR2C
SCHEMBL10141758 0.87 APLNR (0.65) APLNRMTNR1AMTNR1B
SCHEMBL7768853 0.87 APLNR (0.86) APLNRHTR2AHTR2CMEN1KMT2A
SCHEMBL22579009 0.83 APLNR (0.57) APLNRCD274PDCD1HTR2AHTR2C
SCHEMBL30080255 0.82 MTNR1A (0.53) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL27764205 0.82 APLNR (0.63) APLNRCD274PDCD1HTR2AHTR2C
SCHEMBL5096316 0.82 CD274 (0.70) CD274PDCD1
SCHEMBL24851928 0.82 APLNR (0.67) APLNRCD274HTR2AHTR2CMEN1
SCHEMBL3200678 0.82 APLNR (0.67) APLNRCD274HTR2AHTR2CMEN1
SCHEMBL20565881 0.81 APLNR (0.61) APLNRCD274PDCD1MTNR1AMTNR1B

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
EP-1689708-B1 N-ACYL-N -BENZYL-ALKYLENDIAMINO DERIVATIVES NEWRON PHARM SPA (IT) 2007-06-27 EP disclosed