SCHEMBL10375796

SCHEMBL10375796

Clc1ccc(Cl)c(C2CCC3CCCCN32)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
TSHR P16473 2/20 0.38
GAA P10253 1/20 0.38
AGTR1 P30556 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR1A P08908 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL10376871 0.88 GAA (0.48) HRH3TSHRGAAAGTR1CNR1
SCHEMBL10375779 0.81 HRH3 (0.43) HRH3ALDH1A1
SCHEMBL10377522 0.80 HRH3 (0.45) HRH3ALDH1A1MEN1MAPK1KMT2A
SCHEMBL10721818 0.79 OPRM1 (0.39) HRH3TSHRCNR1CNR2
SCHEMBL10721808 0.79 OPRM1 (0.39) HRH3TSHRCNR1CNR2
SCHEMBL10721802 0.79 OPRM1 (0.39) HRH3TSHRCNR1CNR2
SCHEMBL10747828 0.77 GAA (0.45) TSHRGAAAGTR1CNR1CNR2
Hydrochloric Acid SCHEMBL9688465 0.76 GAA (0.44) TSHRGAAAGTR1CNR1CNR2
SCHEMBL10377781 0.73 HRH3 (0.43) HRH3ALDH1A1L3MBTL1
SCHEMBL10375900 0.73 HRH3 (0.38) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187711-B1 OCTAHYDROINDOLIZINE COMPOUNDS USEFUL AS ANALGESICS McNeilab, Inc. (US) 1990-08-29 EP claimed
EP-0187711-A2 Octahydroindolizine compounds useful as analgesics McNeilab, Inc. (US) 1986-07-16 EP claimed
EP-0187711-B1 OCTAHYDROINDOLIZINE COMPOUNDS USEFUL AS ANALGESICS McNeilab, Inc. (US) 1990-08-29 EP disclosed
EP-0187711-A2 Octahydroindolizine compounds useful as analgesics McNeilab, Inc. (US) 1986-07-16 EP disclosed
US-4582836-A Octahydroindolizine compounds useful as analgesics MCNEILAB, INC. (US) 1986-04-15 US disclosed