SCHEMBL8877428

SCHEMBL8877428

NCCN1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.67
OPRK1 P41145 2/20 0.67
OPRL1 P41146 2/20 0.67
SLC6A4 P31645 8/20 0.64
HTR1A P08908 8/20 0.64
DRD2 P14416 5/20 0.63
HTR7 P34969 6/20 0.61
HTR6 P50406 4/20 0.61
HTR2A P28223 3/20 0.61
ADRA1D P25100 2/20 0.61
HTR1D P28221 1/20 0.58

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
SCHEMBL8878693 0.90 SLC6A4 (0.78) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL25344822 0.86 HTR1A (0.66) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL8557700 0.85 MPO (0.71) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL24069002 0.85 SLC6A4 (0.57) OPRM1OPRK1OPRL1SLC6A4DRD2
Hydrochloric Acid SCHEMBL7255624 0.84 ADRA1D (0.83) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL8557344 0.83 HTR1A (0.76) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL5380987 0.83 OPRM1 (0.62) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL7529023 0.83 HTR1A (0.64) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL8877539 0.83 ADRA1D (0.79) SLC6A4HTR1ADRD2HTR7HTR6
SCHEMBL4673580 0.83 HTR1B (0.71) OPRM1OPRK1OPRL1SLC6A4HTR1A

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