SCHEMBL10529544

SCHEMBL10529544

O=C=N[C@@H]1C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 7/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 2/20 0.39
MDM2 Q00987 1/20 0.35
LIG1 P18858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10529540 1.00 SLC9A1 (0.41) SLC9A1HTR2AHTR2CHTR2BSLC6A3
SCHEMBL10527956 0.81 FFAR1 (0.41) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL10527962 0.81 FFAR1 (0.41) HTR2AHTR2CHTR2BSLC6A3SLC6A2
SCHEMBL2160352 0.81 MAOB (0.43) SLC9A1HTR2AHTR2CHTR2BSLC6A3
SCHEMBL5016297 0.81 MAOB (0.43) SLC9A1HTR2AHTR2CHTR2BSLC6A3
SCHEMBL660964 0.81 MAOB (0.43) SLC9A1HTR2AHTR2CHTR2BSLC6A3
SCHEMBL134488 0.81 MAOB (0.43) SLC9A1HTR2AHTR2CHTR2BSLC6A3
SCHEMBL12143680 0.81 MAOB (0.43) SLC9A1HTR2AHTR2CHTR2BSLC6A3
SCHEMBL1870104 0.81 MAOB (0.43) SLC9A1HTR2AHTR2CHTR2BSLC6A3
SCHEMBL15291311 0.77 HTR2A (0.45) HTR2AHTR2CHTR2B

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-4845122-A HAY FEVER, RHINITIS, ASTHMA DYMAS FUNDING COMPANY, LLC, AS AGENT 1989-07-04 US disclosed