SCHEMBL13084751

SCHEMBL13084751

CC(=O)Cc1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CYP2D6 P10635 1/20 0.45
HTR2A P28223 3/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR2B P41595 1/20 0.42
SRD5A2 P31213 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL2763119 0.83 KMT2A (0.56) NPC1RAB9AKMT2AHTR2AHTR2C
SCHEMBL3681499 0.81 CA2 (0.52) NPC1RAB9AKMT2AMEN1CYP2D6
SCHEMBL3678830 0.81 MGLL (0.56) NPC1RAB9AKMT2AMEN1CYP2D6
SCHEMBL27567003 0.81 GAA (0.53) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL19754954 0.80 KMT2A (0.53) NPC1RAB9AKMT2AMEN1CYP2D6
SCHEMBL6801531 0.78 LMNA (0.49) NPC1RAB9AKMT2AMEN1CYP2D6
SCHEMBL11010367 0.78 MGLL (0.58) NPC1RAB9AKMT2AHTR2AHTR2C
SCHEMBL11010359 0.78 MGLL (0.58) NPC1RAB9AKMT2AHTR2AHTR2C
Methane SCHEMBL6326355 0.77 LMNA (0.48) NPC1RAB9AKMT2AMEN1CYP2D6
SCHEMBL7498931 0.77 HDAC3 (0.50) NPC1RAB9AKMT2AMEN1CYP2D6

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-1091938-B1 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTISUB II INC (US) 2010-10-20 EP disclosed