SCHEMBL8871407

SCHEMBL8871407

O=C(CCc1c[nH]c2ccc(F)cc12)N1CCC(n2ccc3c(F)cccc32)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
MPO P05164 5/20 0.47
SLC6A4 P31645 3/20 0.46
GLA P06280 1/20 0.44
ACHE P22303 4/20 0.43
HTR1A P08908 4/20 0.43
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL8870992 0.91 TSHR (0.47) MPOSLC6A4ACHEHTR1ACDK4
SCHEMBL8871654 0.84 MPO (0.59) MPOSLC6A4HTR1ACDK4CCND1
SCHEMBL8870466 0.83 HTR1A (0.63) MPOSLC6A4HTR1A
SCHEMBL8871409 0.80 KMT2A (0.51) KMT2ALMNAMPOSLC6A4GLA
SCHEMBL8557211 0.79 KMT2A (0.52) KMT2ALMNAMPOSLC6A4GLA
SCHEMBL18684485 0.74 KMT2A (0.58) KMT2ALMNAMPOSLC6A4GLA
SCHEMBL11349537 0.73 MPO (0.56) KMT2ALMNAMPOSLC6A4ACHE
SCHEMBL15148792 0.72 MPO (0.59) KMT2AMPOSLC6A4HTR1A
SCHEMBL8870996 0.71 TSHR (0.47) SLC6A4ACHEHTR1A
SCHEMBL15245439 0.70 MPO (0.56) KMT2ALMNAMPOSLC6A4HTR1A

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