SCHEMBL9256337

SCHEMBL9256337

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.70
HSD17B10 Q99714 3/20 0.55
HTR1A P08908 3/20 0.55
HTR1B P28222 3/20 0.55
KMT2A Q03164 2/20 0.55
HTR1D P28221 2/20 0.55
HTR2C P28335 2/20 0.55
HTR5A P47898 2/20 0.55
HTR6 P50406 2/20 0.55
CYP1A2 P05177 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 2/20 0.54
ALOX15 P16050 1/20 0.54
APEX1 P27695 1/20 0.54
MPO P05164 2/20 0.51
LMNA P02545 1/20 0.51
ADRA2A P08913 1/20 0.51
SLC6A2 P23975 1/20 0.51

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
Pyrrole SCHEMBL9258023 0.94 HTR7 (0.62) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL5432115 0.88 HTR7 (0.82) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL9264998 0.87 HTR7 (0.72) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL9257648 0.87 HTR7 (0.68) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL4348714 0.87 HTR7 (0.72) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL10991778 0.86 HTR7 (0.67) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL10983551 0.86 HTR7 (0.67) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL10990700 0.86 HTR7 (0.67) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL3347386 0.86 HTR7 (0.70) HTR7HSD17B10HTR1AHTR1BKMT2A
SCHEMBL27334855 0.86 HTR7 (0.70) HTR7HSD17B10HTR1AHTR1BKMT2A

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 4 patents. 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
US-5256673-A Indole-3-yl-A-tetrahydropyridyl or piperidyl compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-10-26 US disclosed
EP-0144012-B1 INDOLE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-16 EP disclosed
EP-0144012-A1 Indole derivatives MERCK PATENT GmbH (DE) 1985-06-12 EP disclosed