SCHEMBL10375698

SCHEMBL10375698

COc1ccccc1C1CCC2CCCCN21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
ABCB1 P08183 1/20 0.49
CHRNA7 P36544 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42

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
SCHEMBL10375596 0.80 HRH3 (0.43) SIGMAR1ALDH1A1HTR2C
SCHEMBL30061432 0.77 CHRNA7 (0.47) SIGMAR1CHRNA7ALDH1A1LMNAMEN1
SCHEMBL10375779 0.77 HRH3 (0.43) CHRNA7ALDH1A1TRPV6
SCHEMBL10376883 0.77 HRH3 (0.43) ALDH1A1LMNA
SCHEMBL10375490 0.77 HRH3 (0.43) SIGMAR1ABCB1
SCHEMBL10761904 0.77 HRH3 (0.43) ALDH1A1LMNA
SCHEMBL10921603 0.77 ABCB1 (0.45) ABCB1ALDH1A1LMNAMEN1KMT2A
SCHEMBL9688437 0.77 HRH3 (0.43)
SCHEMBL4253607 0.77 ABCB1 (0.72) SIGMAR1ABCB1MEN1KMT2ADRD2
SCHEMBL4253600 0.77 ABCB1 (0.72) SIGMAR1ABCB1MEN1KMT2ADRD2

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 6 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
CN-86100131-A The preparation and the application thereof of octahydro indolizine compound 1986-10-15 CN 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