SCHEMBL29786347

SCHEMBL29786347

NCc1cc(F)ccc1OCC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.52
HTR2A P28223 3/20 0.52
HTR2B P41595 2/20 0.52
NOS3 P29474 2/20 0.48
NOS1 P29475 2/20 0.48
SLC6A4 P31645 4/20 0.45
NOS2 P35228 1/20 0.44
MCHR1 Q99705 2/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A3 Q01959 3/20 0.41
PARP10 Q53GL7 1/20 0.40
RIPK1 Q13546 1/20 0.40

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
SCHEMBL20472535 1.00 HTR2C (0.52) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL30175236 0.94 HTR2C (0.58) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL22470674 0.94 HTR2C (0.58) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL20472606 0.89 HTR2C (0.50) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL29786395 0.89 HTR2C (0.50) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL20472348 0.83 HTR2C (0.56) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL29786681 0.83 HTR2C (0.56) HTR2CHTR2AHTR2BNOS3NOS1
SCHEMBL6213774 0.82 SLC6A4 (0.54) HTR2CHTR2BNOS3NOS1SLC6A4
SCHEMBL22957811 0.81 HTR2A (0.55) HTR2CHTR2AHTR2BSLC6A4SLC6A2
SCHEMBL22391953 0.81 RIPK1 (0.61) HTR2CHTR2AHTR2BNOS3NOS1

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