SCHEMBL7090614

SCHEMBL7090614

C[C@@H]1C[C@@H](c2c[nH]c3cc(F)ccc23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
SLC6A4 P31645 3/20 0.49
HTR1D P28221 2/20 0.48
ADRA1D P25100 3/20 0.45
HTR2A P28223 5/20 0.45
HTR7 P34969 3/20 0.45
KCNH2 Q12809 3/20 0.45
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
ADRA1B P35368 1/20 0.42
HSD11B1 P28845 2/20 0.41
HTR1A P08908 2/20 0.41
DRD1 P21728 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
HTR1B P28222 1/20 0.41
IDO1 P14902 1/20 0.40

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
SCHEMBL6491645 1.00 DRD2 (0.49) DRD2SLC6A4HTR1DADRA1DHTR2A
SCHEMBL29116463 0.86 KDM4E (0.54) DRD2ADRA1DHTR2AHTR7KCNH2
SCHEMBL6493987 0.86 DRD2 (0.55) DRD2SLC6A4HTR1DADRA1DHTR2A
SCHEMBL4882143 0.85 DRD2 (0.56) DRD2SLC6A4ADRA1DHTR2AHTR7
SCHEMBL6499703 0.82 GPR119 (0.35) SLC6A4HTR1D
SCHEMBL6502071 0.82 JAK2 (0.35) SLC6A4HTR1D
SCHEMBL31530781 0.80 SLC6A4 (0.47) DRD2SLC6A4HTR1DADRA1DHTR2A
SCHEMBL22871576 0.80 SLC6A4 (0.47) DRD2SLC6A4HTR1DADRA1DHTR2A
SCHEMBL12329382 0.78 DRD2 (0.40) DRD2SLC6A4HTR1DADRA1DHTR2A
SCHEMBL12329638 0.78 HTR2A (0.42) DRD2SLC6A4ADRA1DHTR2AHTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286992-A1 PIPERIDYINDOLES AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY (US) 2003-03-05 EP disclosed
WO-2001087881-A1 PIPERIDYINDOLES AS SEROTONIN RECEPTOR LIGANDS ELI LILLY AND COMPANY (US) 2001-11-22 WO disclosed