SCHEMBL5985537

SCHEMBL5985537

CC(N)Cc1ccc(F)c2ccoc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR2B P41595 1/20 0.49

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
Oxalic Acid SCHEMBL5988378 0.91 HTR2A (0.43) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5988394 0.83 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL5986610 0.80 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL5985412 0.80 HTR2C (0.46) HTR2AHTR2CHTR2B
SCHEMBL24947655 0.79 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL29558897 0.79 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL16381040 0.79 KCNA2 (0.34)
Hydrochloric Acid SCHEMBL5987887 0.78 HTR2C (0.44) HTR2AHTR2CHTR2B
SCHEMBL5987352 0.78 HTR2A (0.50) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5986887 0.76 HTR2A (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045545-B1 Aminoalkylbenzofurans as serotonin (5-HT(2c)) agonists ELI LILLY AND COMPANY (US) 2006-05-16 US disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 WO disclosed