SCHEMBL10698042

SCHEMBL10698042

OC[C@@H]1C[C@H]1c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.68
HTR2B P41595 1/20 0.68
SLC6A4 P31645 11/20 0.64
SLC6A3 Q01959 7/20 0.64
SLC6A2 P23975 4/20 0.64
KDM1A O60341 2/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
KDM4E B2RXH2 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 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
SCHEMBL10694369 1.00 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
SCHEMBL13742286 0.82 HTR2C (0.97) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
SCHEMBL10696867 0.82 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
SCHEMBL10696871 0.82 HTR2C (0.68) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL4134455 0.81 HTR2C (1.00) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL4134458 0.81 HTR2C (1.00) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
SCHEMBL13486580 0.80 SLC6A4 (0.49) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
SCHEMBL13751924 0.79 SLC6A4 (0.74) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
SCHEMBL14568542 0.78 SLC6A4 (1.00) HTR2CHTR2BSLC6A4SLC6A3SLC6A2
SCHEMBL9043644 0.77 HTR2C (0.63) HTR2CHTR2BSLC6A3SLC6A2KDM1A

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
EP-0253498-A2 Tertiary amine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP disclosed