SCHEMBL29786709

SCHEMBL29786709

NCc1ccccc1OCC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.54
MCHR1 Q99705 3/20 0.50
HTR2C P28335 3/20 0.50
FAAH O00519 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 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
SCHEMBL20472353 1.00 RIPK1 (0.54) RIPK1MCHR1HTR2CFAAHCNR1
SCHEMBL29786424 0.98 RIPK1 (0.55) RIPK1MCHR1HTR2CFAAHCNR1
SCHEMBL20472415 0.98 RIPK1 (0.55) RIPK1MCHR1HTR2CFAAHCNR1
SCHEMBL29786364 0.95 RIPK1 (0.55) RIPK1MCHR1HTR2CFAAHCNR1
SCHEMBL20472419 0.95 RIPK1 (0.55) RIPK1MCHR1HTR2CFAAHCNR1
SCHEMBL8252603 0.91 RIPK1 (0.63) RIPK1MCHR1HTR2CNOS3NOS1
Hydrochloric Acid SCHEMBL22470881 0.90 RIPK1 (0.61) RIPK1MCHR1HTR2CNOS3NOS1
Hydrochloric Acid SCHEMBL30175221 0.90 RIPK1 (0.61) RIPK1MCHR1HTR2CNOS3NOS1
SCHEMBL20472363 0.84 RIPK1 (0.59) RIPK1MCHR1HTR2CNOS3NOS1
SCHEMBL29786590 0.84 RIPK1 (0.59) RIPK1MCHR1HTR2CNOS3NOS1

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
CN-110520423-B Aminotriazolopyridines as kinase inhibitors 百时美施贵宝公司 2022-08-23 CN disclosed