SCHEMBL8209129

SCHEMBL8209129

CC(c1c[nH]c2ccc(F)cc12)C1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.43
HTR2A P28223 4/20 0.42
HTR2C P28335 2/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK1 P28482 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MPO P05164 2/20 0.38

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
SCHEMBL8208352 0.86 HTR1D (0.40) SLC6A4HTR2ASLC6A2SLC6A3HTR1B
SCHEMBL774111 0.85 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3GPR84ALDH1A1
SCHEMBL9287650 0.85 HTR1D (0.42) SLC6A4HTR2AHTR2CSLC6A2SLC6A3
SCHEMBL1697454 0.85 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3GPR84ALDH1A1
SCHEMBL9287655 0.85 HTR1D (0.42) SLC6A4HTR2AHTR2CSLC6A2SLC6A3
SCHEMBL8209090 0.85 SLC6A4 (0.50) SLC6A4HTR2ASLC6A2SLC6A3GPR84
SCHEMBL774639 0.85 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3GPR84ALDH1A1
SCHEMBL8507358 0.85 HTR1D (0.45) SLC6A4HTR2ASLC6A2SLC6A3HTR1B
SCHEMBL8506282 0.82 HTR1D (0.44) SLC6A4SLC6A2SLC6A3HTR1AHTR1B
SCHEMBL8507170 0.82 HTR1D (0.43) SLC6A4SLC6A2SLC6A3HTR1AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 US disclosed