SCHEMBL7283103

SCHEMBL7283103

CC1=C(C(=O)O)C(CCCCCCNCC(O)COc2ccccc2)(c2ccccc2[N+](=O)[O-])C(C(=O)O)=C(C)N1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.43
ADRB3 P13945 6/20 0.43
ADRB2 P07550 5/20 0.43
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL7291151 0.86 ATM (0.45) ADRB1ADRB3ADRB2ATMLMNA
SCHEMBL7284598 0.85 ADRB1 (0.46) ADRB1ADRB3ADRB2ATMLMNA
SCHEMBL7284574 0.84 ADRB1 (0.46) ADRB1ADRB3ADRB2ATMLMNA
SCHEMBL7291953 0.80 ATM (0.43) ADRB1ADRB3ADRB2ATMLMNA
SCHEMBL9825260 0.79 ADRB2 (0.42) ADRB1ADRB3ADRB2ATMLMNA
SCHEMBL9826041 0.78 ADRB2 (0.43) ADRB1ADRB3ADRB2ATMLMNA
SCHEMBL9825035 0.78 ADRB2 (0.43) ADRB1ADRB3ADRB2ATMLMNA
SCHEMBL9825202 0.78 ADRB2 (0.43) ADRB1ADRB3ADRB2ATMLMNA
Hydrochloric Acid SCHEMBL9824900 0.77 ADRB2 (0.44) ADRB1ADRB3ADRB2ATMLMNA
SCHEMBL9824991 0.77 ATM (0.48) ADRB1ADRB3ADRB2ATMLMNA

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-0151006-B1 DIHYDROPYRIDINE COMPOUNDS, THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PRODUCING THESE COMPOSITIONS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP claimed