SCHEMBL8558613

SCHEMBL8558613

COC(=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.65
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPT P10636 2/20 0.65
HTR2C P28335 2/20 0.65
HSD17B10 Q99714 2/20 0.65
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
HTR1D P28221 1/20 0.65
MAPK1 P28482 1/20 0.65
BRCA1 P38398 1/20 0.65
KMT2A Q03164 1/20 0.65
JAK2 O60674 1/20 0.54
PRKD3 O94806 1/20 0.54
MARK3 P27448 1/20 0.54
PRKCI P41743 1/20 0.54
PRKCD Q05655 1/20 0.54
CAMK2B Q13554 1/20 0.54
CAMK2G Q13555 1/20 0.54

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
SCHEMBL9764393 0.86 KDM4E (0.59) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL6631360 0.84 HTR6 (0.60) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL9764585 0.80 SLC6A4 (0.67)
Ru-24969 SCHEMBL29390076 0.79 HTR6 (1.00) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL31700695 0.79 CCNT1 (0.42) HTR6KDM4EALDH1A1MAPTHTR2C
Ru-24969 SCHEMBL2359264 0.79 HTR6 (1.00) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL15787045 0.79 IMPDH2 (0.58) HTR6KDM4EALDH1A1MAPTHTR2C
Ru-24969 SCHEMBL29550112 0.78 HTR6 (0.81) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL8820109 0.78 HSD17B10 (0.56) HTR6KDM4EALDH1A1MAPTHTR2C
SCHEMBL3836149 0.77 HTR6 (0.67) HTR6KDM4EALDH1A1MAPTHTR2C

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
US-5693655-A 3-indolylpiperidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-02 US disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed