SCHEMBL7440244

SCHEMBL7440244

NC(=O)C(c1ccc(O)cc1)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 2/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LTA4H P09960 9/20 0.37
POLB P06746 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7439458 0.94 MAPT (0.40) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL7443120 0.92 LMNA (0.41) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL7428130 0.92 MAPT (0.37) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL7434347 0.92 MAPT (0.37) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL7435907 0.92 KDM4E (0.40) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL7431674 0.90 LMNA (0.42) ADRA1DADRA1AADRA1BLMNAMAPT
SCHEMBL7434312 0.90 MAPT (0.38) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL7430176 0.90 TEAD1 (0.44) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL7432813 0.90 CA1 (0.42) ADRB2ADRB1ADRB3ADRA1DADRA1A
SCHEMBL7441214 0.89 GAA (0.41) ADRB2ADRB1ADRB3ADRA1DADRA1A

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed