SCHEMBL8557344

SCHEMBL8557344

Fc1ccc2[nH]cc(CCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.76
SLC6A4 P31645 4/20 0.74
HTR7 P34969 2/20 0.74
KCNH2 Q12809 2/20 0.74
MPO P05164 4/20 0.72
HTR6 P50406 2/20 0.63
DRD2 P14416 1/20 0.63
HTR2A P28223 1/20 0.63
ADRA1D P25100 2/20 0.62
OPRM1 P35372 1/20 0.62
OPRK1 P41145 1/20 0.62
OPRL1 P41146 1/20 0.62

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
SCHEMBL8557097 0.97 HTR1A (0.70) HTR1ASLC6A4HTR7KCNH2MPO
SCHEMBL8558891 0.95 ADRA1D (0.71) HTR1ASLC6A4HTR7KCNH2MPO
SCHEMBL8557700 0.93 MPO (0.71) HTR1ASLC6A4HTR7KCNH2MPO
SCHEMBL8554029 0.88 HTR1A (0.70) HTR1ASLC6A4HTR7KCNH2MPO
SCHEMBL8560715 0.87 HTR7 (0.64) HTR1ASLC6A4HTR7KCNH2MPO
SCHEMBL25344822 0.87 HTR1A (0.66) HTR1ASLC6A4HTR7HTR6DRD2
SCHEMBL8554847 0.86 CYP1A2 (0.65) HTR1ASLC6A4HTR7KCNH2MPO
Hydrochloric Acid SCHEMBL7255624 0.85 ADRA1D (0.83) HTR1ASLC6A4HTR7MPOHTR6
SCHEMBL8871017 0.84 HTR1A (0.68) HTR1ASLC6A4HTR7KCNH2MPO
SCHEMBL8554542 0.84 HTR1A (0.77) HTR1ASLC6A4HTR7HTR6DRD2

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-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed