SCHEMBL8443418

SCHEMBL8443418

OC1(N2CC=C(c3cccc4c3SCCC4)CC2)CCc2cc(F)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.56
OPRL1 P41146 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
HTR2A P28223 1/20 0.30
MAPK1 P28482 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8440427 0.81 HTR1A (0.43) HTR1AOPRL1KDM4EGMNNALDH1A1
SCHEMBL8440322 0.77 HTR1A (0.56) HTR1ASLC6A4
SCHEMBL6972154 0.72 HTR1A (1.00) HTR1AOPRL1
SCHEMBL8443416 0.70 HTR1A (0.35) HTR1A
SCHEMBL8443740 0.65 HTR1A (0.52) HTR1AALDH1A1LMNACYP3A4MAPK1
SCHEMBL8441075 0.64 HTR1A (0.57) HTR1AHTR2A
SCHEMBL23987301 0.60 HTR1A (0.39) HTR1ASLC6A4
SCHEMBL8439326 0.60 HTR1A (0.58) HTR1AOPRL1SLC6A4
SCHEMBL8439359 0.58 HTR1A (0.55) HTR1AALDH1A1LMNACYP3A4HTR2A
SCHEMBL8439626 0.58 HTR1A (0.57) HTR1ASLC6A4

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