SCHEMBL8876508

SCHEMBL8876508

CCOc1ccc2[nH]cc(C3CCNCC3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.55
HTR2C P28335 3/20 0.54
ADRB2 P07550 1/20 0.54
APP P05067 1/20 0.53
GABRP O00591 2/20 0.47
GABRD O14764 2/20 0.47
GABRA1 P14867 2/20 0.47
GABRB1 P18505 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRE P78334 2/20 0.47
GABRA6 Q16445 2/20 0.47
GABRG1 Q8N1C3 2/20 0.47
GABRG3 Q99928 2/20 0.47
GABRQ Q9UN88 2/20 0.47

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
SCHEMBL18474133 0.88 MTNR1A (0.49) HTR6HTR2CHTR1ASLC6A4KMT2A
SCHEMBL2264043 0.85 HTR2C (0.60) HTR6HTR2CADRB2APPHTR1A
Hydrochloric Acid SCHEMBL11847902 0.84 HTR2C (0.59) HTR6HTR2CADRB2APPHTR1A
SCHEMBL5705128 0.83 HTR2C (0.56) HTR6HTR2CADRB2APPHTR1A
SCHEMBL8819815 0.80 SLC6A4 (0.56) HTR6HTR1ASLC6A4HTR2A
SCHEMBL18441311 0.79 HTR1B (0.53) HTR2CHTR1ASLC6A4KMT2AHTR2A
SCHEMBL8879367 0.79 HTR6 (0.57) HTR6HTR2CADRB2APPGABRP
SCHEMBL6956308 0.79 HTR6 (0.57) HTR6HTR2CADRB2APPGABRP
SCHEMBL18441329 0.78 MTNR1A (0.46) HTR6HTR1ASLC6A4KMT2AHTR2A
SCHEMBL7483859 0.78 APP (0.45) HTR6HTR2CADRB2APPGABRP

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 2 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
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed