SCHEMBL11246086

SCHEMBL11246086

CC(=O)Nc1cccc(NCCNCC(O)COc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
ADRB1 P08588 9/20 0.55
ADRB3 P13945 9/20 0.55
ADRB2 P07550 7/20 0.54
ATM Q13315 1/20 0.52
CYP1A2 P05177 2/20 0.51
ABCB1 P08183 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
OPRK1 P41145 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
CYP2D6 P10635 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL10889271 0.90 MAPT (0.77) MAPTADRB1ADRB3ADRB2CYP1A2
SCHEMBL11238941 0.84 ATM (0.56) MAPTADRB1ADRB3ADRB2ATM
SCHEMBL11244044 0.83 MAPT (0.69) MAPTADRB1ADRB3ADRB2ATM
Hydrochloric Acid SCHEMBL11235226 0.83 ADRB1 (0.56) MAPTADRB1ADRB3ADRB2ATM
SCHEMBL11234633 0.82 MEN1 (0.55) MAPTADRB1ADRB3ADRB2ATM
Hydrochloric Acid SCHEMBL11230526 0.82 MAPT (0.68) MAPTADRB1ADRB3ADRB2ATM
SCHEMBL11237809 0.81 MEN1 (0.54) MAPTADRB1ADRB3ADRB2ATM
Hydrochloric Acid SCHEMBL11236936 0.81 ADRB1 (0.56) MAPTADRB1ADRB3ADRB2CYP1A2
SCHEMBL6432407 0.81 ADRB1 (0.59) MAPTADRB1ADRB3ADRB2ATM
SCHEMBL6432412 0.81 ADRB1 (0.59) MAPTADRB1ADRB3ADRB2ATM

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-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed