SCHEMBL8948062

SCHEMBL8948062

O=c1sc2cc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2n1CCN1CCC(Cc2ccc(F)cc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.69
HTR2C P28335 3/20 0.57
SIGMAR1 Q99720 4/20 0.56
CCR3 P51677 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
HTR7 P34969 1/20 0.46

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
SCHEMBL8947762 0.89 HTR1A (0.66) HTR1AHTR2CSIGMAR1
SCHEMBL8948076 0.83 HTR1A (0.64) HTR1AHTR2CHTR7
Hydrochloric Acid SCHEMBL9449598 0.82 HTR1A (0.98) HTR1AHTR2CSIGMAR1HTR7
SCHEMBL8948137 0.81 HTR1A (0.70) HTR1AHTR2CSIGMAR1HTR7
SCHEMBL8947985 0.78 KDM4E (0.58) HTR1AHTR2CSIGMAR1HTR7
SCHEMBL8947779 0.76 KDM4E (0.54) HTR1AHTR2CSIGMAR1TMEM97HTR7
Hydrochloric Acid SCHEMBL9437971 0.76 HTR1A (0.98) HTR1AHTR2CSIGMAR1
SCHEMBL8948104 0.74 HTR2A (0.52) HTR1AHTR2CSIGMAR1
SCHEMBL9449853 0.73 HTR1A (0.86) HTR1AHTR2CSIGMAR1TMEM97
SCHEMBL8947948 0.73 HTR1A (1.00) HTR1AHTR2CSIGMAR1HTR7

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-5534517-A (Aryl(alkyl)carbonyl)-heterocyclic compounds and their use in the treatment of anxiety and depression ADIR ET COMPAGNIE (FR) 1996-07-09 US claimed