SCHEMBL5987352

SCHEMBL5987352

COc1ccc(CC(C)N)c2occc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45

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 SCHEMBL5985398 0.98 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL5985537 0.78 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL2260537 0.76 KCNA3 (0.39)
SCHEMBL11816979 0.76 HTR2A (0.54) HTR2AHTR2CHTR2B
SCHEMBL28125752 0.75 ALDH1A1 (0.56) HTR2AHTR2CHTR2B
SCHEMBL2264564 0.75 ALDH1A1 (0.38) HTR2AHTR2CHTR2B
SCHEMBL27598015 0.75 ALDH1A1 (0.41)
SCHEMBL5987184 0.74 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL5987544 0.74 CYP3A4 (0.46)
SCHEMBL5985412 0.74 HTR2C (0.46) 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