SCHEMBL11207221

SCHEMBL11207221

Cc1ccc(CN2C3CCCC2(C)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
OPRK1 P41145 3/20 0.38
SIGMAR1 Q99720 2/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PLA2G1B P04054 1/20 0.36
ALPL P05186 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
AMPD2 Q01433 1/20 0.36
MEN1 O00255 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL10913138 0.97 LMNA (0.41) LMNAPOLBOPRK1SIGMAR1KMT2A
SCHEMBL10912812 0.81 THRB (0.38) LMNAPOLBOPRK1KMT2AALDH1A1
SCHEMBL10908685 0.78 OPRK1 (0.34) LMNAPOLBOPRK1SIGMAR1KMT2A
SCHEMBL7456872 0.74 LMNA (0.42) LMNAPOLBOPRK1SIGMAR1ALDH1A1
SCHEMBL27422400 0.72 SIGMAR1 (0.46) SIGMAR1ALDH1A1NPSR1
SCHEMBL11098244 0.71 OPRK1 (0.50) LMNAPOLBOPRK1NPC1RAB9A
SCHEMBL10818495 0.70 OPRK1 (0.52) LMNAPOLBOPRK1NPC1RAB9A
SCHEMBL22602392 0.69 OPRK1 (0.39) OPRK1SIGMAR1KMT2AALDH1A1L3MBTL1
SCHEMBL7458620 0.68 OPRK1 (0.57) LMNAPOLBOPRK1SIGMAR1KMT2A
SCHEMBL8509802 0.67 USP14 (0.47) SIGMAR1KMT2AALDH1A1L3MBTL1MEN1

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
EP-0095262-A1 Azabicycloalkane derivatives, their preparation and medicaments containing them BEECHAM GROUP PLC (GB) 1983-11-30 EP disclosed