SCHEMBL11722981

SCHEMBL11722981

COC(=Cc1ccc(OCC(O)CNC(C)CC#N)cc1)N=C=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 7/20 0.43
▸ ADRB2 P07550 6/20 0.43
▸ ADRB1 P08588 4/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.40

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
SCHEMBL11714841 0.87 ADRB2 (0.47) ADRB3ADRB2ADRB1MEN1ALDH1A1
SCHEMBL11722976 0.80 ADRB3 (0.44) ADRB3ADRB2ADRB1MEN1ALDH1A1
SCHEMBL11722575 0.77 PTGS1 (0.48) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11721637 0.76 ADRB2 (0.43) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11721629 0.76 ADRB2 (0.43) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11793508 0.76 ADRB2 (0.56) ADRB3ADRB2ADRB1PTGS1SLC6A2
SCHEMBL11723207 0.75 ADRB2 (0.48) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11723214 0.75 ADRB2 (0.48) ADRB3ADRB2ADRB1MEN1KMT2A
SCHEMBL11720982 0.70 ADRB2 (0.56) ADRB3ADRB2ADRB1ALDH1A1SLC6A2
SCHEMBL11791254 0.70 ADRB2 (0.57) ADRB3ADRB2ADRB1MEN1ALDH1A1

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-4014920-A N-cinnamylcarbamic acid esters CIBA-GEIGY CORPORATION (US) 1977-03-29 — — US disclosed
Send feedback