SCHEMBL5987776

SCHEMBL5987776

CCNC(=O)C(C)c1cc(F)cc2ccoc12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
ACACB O00763 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
POLB P06746 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
CYP2C19 P33261 1/20 0.32
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL5986973 0.79 P4HB (0.33) HTR1BPOLB
SCHEMBL25528821 0.73 TRPA1 (0.36) TSHRCYP2C19HSP90AB1
SCHEMBL5986108 0.72 KDM4E (0.35) HTR1BTSHRPOLBCYP2C19
SCHEMBL5988442 0.72 PTGS1 (0.37) TSHRPOLB
SCHEMBL5987778 0.71 ALDH1A1 (0.31) POLB
Oxalic Acid SCHEMBL5987258 0.70 P4HB (0.32) HTR1BPOLB
Oxalic Acid SCHEMBL5987052 0.70 GAA (0.32)
SCHEMBL5986612 0.70 P4HB (0.32)
SCHEMBL11470708 0.70 OPRM1 (0.46) ACACB
SCHEMBL5987058 0.69 P4HB (0.32) POLB

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