SCHEMBL8439626

SCHEMBL8439626

OC1(N2CCC(c3cc(F)cc4c3OCCC4)CC2)CCc2cc(F)ccc21

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.57
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
TRPA1 O75762 1/20 0.33
SLC6A4 P31645 2/20 0.31
SRD5A1 P18405 1/20 0.31
OPRM1 P35372 1/20 0.30
CCR2 P41597 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8441675 0.90 HTR1A (0.59) HTR1ACHRNA7HTR3ATRPA1SLC6A4
SCHEMBL8439326 0.84 HTR1A (0.58) HTR1ASLC6A4OPRM1
SCHEMBL8440473 0.82 HTR1A (0.43) HTR1ASLC6A4
SCHEMBL8440360 0.81 HTR1A (0.57) HTR1ASLC6A4
SCHEMBL8440023 0.77 HTR1A (0.48) HTR1ACHRNA7HTR3A
SCHEMBL8441075 0.76 HTR1A (0.57) HTR1A
SCHEMBL8439530 0.74 HTR1A (0.57) HTR1ASLC6A4
SCHEMBL8442405 0.73 FASN (0.40) HTR1ATRPA1SLC6A4SRD5A1OPRM1
SCHEMBL6975848 0.73 HTR1A (1.00) HTR1A
SCHEMBL6975844 0.73 HTR1A (1.00) HTR1A

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-5958927-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1999-09-28 US disclosed