SCHEMBL8871409

SCHEMBL8871409

O=C(CCc1c[nH]c2ccc(F)cc12)N1CCC(c2cc3c(F)cccc3[nH]2)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
MPO P05164 4/20 0.47
GLA P06280 1/20 0.46
SLC6A4 P31645 3/20 0.46
MEN1 O00255 2/20 0.44
HTR1A P08908 3/20 0.44
HTR7 P34969 1/20 0.44
KCNH2 Q12809 1/20 0.44
ACHE P22303 3/20 0.43
HSD11B1 P28845 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL8870996 0.91 TSHR (0.47) SLC6A4HTR1AHTR7KCNH2ACHE
SCHEMBL8557211 0.85 KMT2A (0.52) KMT2ALMNAMPOGLASLC6A4
SCHEMBL8871656 0.84 MPO (0.59) MPOSLC6A4HTR1AHTR7KCNH2
SCHEMBL8870468 0.83 HTR1A (0.64) MPOSLC6A4HTR1AHTR7KCNH2
SCHEMBL8871407 0.80 KMT2A (0.48) KMT2ALMNAMPOGLASLC6A4
SCHEMBL8870741 0.78 TSHR (0.50) KMT2AMPOSLC6A4MEN1HTR1A
SCHEMBL11349537 0.77 MPO (0.56) KMT2ALMNAMPOSLC6A4HTR1A
SCHEMBL8557474 0.75 HSD11B1 (0.48) SLC6A4HTR1AHTR7KCNH2HSD11B1
SCHEMBL8872021 0.75 HTR2A (0.55) MPOSLC6A4HTR1AHTR7KCNH2
SCHEMBL18684485 0.74 KMT2A (0.58) KMT2ALMNAMPOGLASLC6A4

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-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed