SCHEMBL8879367

SCHEMBL8879367

FC(F)(F)Oc1ccc2[nH]cc(C3CCNCC3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.57
HTR2C P28335 3/20 0.54
ADRB2 P07550 1/20 0.54
APP P05067 3/20 0.53
NMT2 O60551 1/20 0.45
NMT1 P30419 1/20 0.45
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MARK3 P27448 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCD Q05655 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
BRSK1 Q8TDC3 1/20 0.43
PIM2 Q9P1W9 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
SCHEMBL2264043 0.82 HTR2C (0.60) HTR6HTR2CADRB2APPHTR1A
Hydrochloric Acid SCHEMBL11847902 0.81 HTR2C (0.59) HTR6HTR2CADRB2APPHTR1D
SCHEMBL8876508 0.79 HTR6 (0.55) HTR6HTR2CADRB2APPNMT2
SCHEMBL6956308 0.79 HTR6 (0.57) HTR6HTR2CADRB2APPNMT2
SCHEMBL2781509 0.77 HTR2C (0.62) HTR6HTR2CADRB2APPNMT2
SCHEMBL8878109 0.77 SLC6A4 (0.57) HTR6HTR1AHTR7HTR2A
SCHEMBL7003242 0.77 SLC6A4 (0.57) HTR6HTR1DHTR1BHTR1AHTR7
SCHEMBL14775067 0.75 HTR2C (0.42) HTR2CHTR1A
SCHEMBL5705128 0.75 HTR2C (0.56) HTR6HTR2CADRB2APPHTR1D
SCHEMBL25079811 0.75 HTR2C (0.58) HTR6HTR2CADRB2APPHTR1A

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
US-5670511-A Indolepiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-09-23 US disclosed
CN-1133840-A Indolepiperidine derivatives MERCK PATENT GMBH (DE) 1996-10-23 CN disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed