SCHEMBL9879617

SCHEMBL9879617

CC(C(=O)c1ccc(Cl)cc1)N1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
SIGMAR1 Q99720 10/20 0.51
CCR1 P32246 1/20 0.47
CNR1 P21554 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 1/20 0.45
NAMPT P43490 1/20 0.44
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
SLC6A2 P23975 1/20 0.42
CHRNB4 P30926 1/20 0.42
SLC6A4 P31645 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CHRND Q07001 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
SCHEMBL9879560 0.81 SIGMAR1 (0.43) MAPTTHRBSIGMAR1MEN1KMT2A
SCHEMBL18965040 0.79 KDM4E (0.48) MAPTTHRBSIGMAR1CCR1CNR1
SCHEMBL13231742 0.79 SIGMAR1 (0.47) MAPTTHRBSIGMAR1CCR1CNR1
SCHEMBL5954545 0.76 SLC6A3 (0.66) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL5953978 0.75 SLC6A2 (0.68) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4231835 0.74 KCNH2 (0.52) MAPTTHRBSIGMAR1CCR1MEN1
SCHEMBL13231740 0.74 SIGMAR1 (0.43) MAPTTHRBSIGMAR1CCR1CNR1
SCHEMBL5954170 0.74 MC4R (0.57) MAPTMEN1KMT2ACHRNA1CHRNG
SCHEMBL5954184 0.73 PHGDH (0.55) MAPTTHRBKMT2ACHRNA1CHRNG
SCHEMBL7094264 0.73 OPRD1 (0.52) MAPTSIGMAR1CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008200-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS AS ACTIVE AGENTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 1991-06-13 WO claimed