SCHEMBL5987955

SCHEMBL5987955

COc1cc2occc2cc1CC(C)N

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.57
TAAR1 Q96RJ0 3/20 0.54
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51

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
Hydrochloric Acid SCHEMBL5987987 0.99 HTR2A (0.55) HTR2ATAAR1HTR1AHTR2CHTR2B
Hydrochloric Acid SCHEMBL20563992 0.78 TAAR1 (0.50) HTR2ATAAR1HTR2CHTR2B
SCHEMBL48210 0.76 PDE4A (0.43) HTR2AHTR1AHTR2C
SCHEMBL4580168 0.75 MCL1 (0.55)
SCHEMBL5987458 0.73 CYP3A4 (0.57)
SCHEMBL29425260 0.73 HTR2A (1.00) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL398581 0.73 HTR2A (1.00) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL398580 0.73 HTR2A (1.00) HTR2ATAAR1HTR1AHTR2CHTR2B
SCHEMBL21167302 0.73 CA12 (0.43)
SCHEMBL5308098 0.72 HTR2A (0.81) HTR2ATAAR1HTR1AHTR2CHTR2B

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