SCHEMBL8870673

SCHEMBL8870673

CN(CCCCc1ccc2[nH]c(=O)sc2c1)CCNC1CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.42
HTR2C P28335 7/20 0.42
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
MAPT P10636 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GFER P55789 1/20 0.34
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 1/20 0.33
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL8870566 0.95 PDE3B (0.41) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL7761660 0.80 CXCR4 (0.44) HTR1AHTR2CPDE3BPDE3ALMNA
SCHEMBL8870103 0.79 SIGMAR1 (0.53) HTR1AHTR2C
SCHEMBL8871094 0.78 HTR1A (0.42) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL8870600 0.77 HTR1A (0.54) HTR1AHTR2CDRD2HTR2ATP53
SCHEMBL8869966 0.77 HTR1A (0.53) HTR1AHTR2CDRD2HTR2ATP53
SCHEMBL8870746 0.77 HTR1A (0.53) HTR1AHTR2CDRD2HTR2ATP53
SCHEMBL8870642 0.75 SIGMAR1 (0.50) HTR1AHTR2C
SCHEMBL9437757 0.74 HTR1A (0.48) HTR1AHTR2CPDE3BPDE3AMAPT
SCHEMBL6190040 0.72 SPHK1 (0.42) HTR1AHTR2CALDH1A1GRIN2BGRIN1

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-5688811-A PSYCHOLOGICAL DISORDERS; NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1997-11-18 US disclosed