SCHEMBL10568367

SCHEMBL10568367

CCCn1nc(C)c(NCCNCC(O)COc2ccccc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ADRB1 P08588 6/20 0.43
ADRB3 P13945 6/20 0.43
ADRB2 P07550 5/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42

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
Dalbraminol SCHEMBL1255297 0.87 MEN1 (0.51) MEN1OPRM1OPRD1KMT2AATM
SCHEMBL10569784 0.86 MEN1 (0.46) MEN1OPRM1OPRD1KMT2AATM
SCHEMBL10839545 0.83 MEN1 (0.49) MEN1OPRM1OPRD1KMT2AATM
SCHEMBL10838572 0.82 MEN1 (0.55) MEN1OPRM1OPRD1KMT2AATM
SCHEMBL10573665 0.78 ADRB3 (0.53) MEN1KMT2ALMNAHSD17B10ADRB1
SCHEMBL10839723 0.77 MEN1 (0.58) MEN1OPRM1OPRD1KMT2AATM
Hydrochloric Acid SCHEMBL11237704 0.76 MEN1 (0.56) MEN1OPRM1OPRD1KMT2AATM
Hydrochloric Acid SCHEMBL7263799 0.76 MEN1 (0.56) MEN1OPRM1OPRD1KMT2AATM
SCHEMBL10839179 0.76 MEN1 (0.51) MEN1OPRM1OPRD1KMT2AATM
SCHEMBL10838861 0.76 MEN1 (0.51) MEN1OPRM1OPRD1KMT2AATM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4880805-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-14 US claimed
US-4608383-A Cardioactive pyrazole and imidazole aryloxypropanolamines BOEHRINGER MANNHEIM GMBH (DE) 1986-08-26 US claimed
US-4880805-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-14 US disclosed
US-4780474-A DEFORMATION OF ERYTHROCYTES BOEHRINGER MANNHEIM GMBH (DE) 1988-10-25 US disclosed