SCHEMBL9256341

SCHEMBL9256341

O=C(Nc1ccc(F)cc1)c1ccc2[nH]cc(CCCCBr)c2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MPO P05164 10/20 0.53
SLC6A4 P31645 3/20 0.51
MAPT P10636 2/20 0.51
SNCA P37840 1/20 0.48
SIRT1 Q96EB6 1/20 0.47
HTR1D P28221 1/20 0.47
NOTUM Q6P988 2/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 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
SCHEMBL9258114 0.80 SLC6A4 (0.66) MPOSLC6A4
SCHEMBL5584045 0.79 MPO (0.73) MPOSLC6A4
SCHEMBL9256337 0.78 HTR7 (0.70) MPOSLC6A4HTR1D
SCHEMBL7866630 0.78 MPO (0.64) MPOMAPTSNCASIRT1HTR1D
SCHEMBL9264998 0.77 HTR7 (0.72) MPOSLC6A4HTR1D
SCHEMBL9263244 0.76 GPR84 (0.64) MPOHTR1DNOTUMPOLBMTNR1A
SCHEMBL5583919 0.75 MPO (0.72) MPOSLC6A4
Hydrochloric Acid SCHEMBL11354169 0.74 HTR7 (0.67) MAPTSNCAHTR1DPOLBSMN1; SMN2
Pyrrole SCHEMBL9258023 0.73 HTR7 (0.62) MPOHTR1D
SCHEMBL11355422 0.73 MAPT (0.65) MAPTSNCASIRT1POLBSMN1; SMN2

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-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 US disclosed