SCHEMBL12440205

SCHEMBL12440205

Cc1cc(CO)n(CC2CCCCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.50
KCNJ6 P48051 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RY14 Q15391 3/20 0.39
LMNA P02545 1/20 0.39
HTR2C P28335 4/20 0.37
SLC6A4 P31645 4/20 0.37
HTR2A P28223 2/20 0.36
PKM P14618 1/20 0.35
CNR1 P21554 1/20 0.35
ACHE P22303 1/20 0.35
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 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
SCHEMBL12440207 0.76 CRHR1 (0.50) CRHR1RAB9AMEN1MAPTKMT2A
SCHEMBL24757773 0.76 P2RY14 (0.48) CRHR1KCNJ6KCNJ5KCNJ3RAB9A
SCHEMBL31327098 0.76 P2RY14 (0.40) CRHR1KCNJ6KCNJ5KCNJ3RAB9A
SCHEMBL12440718 0.75 CRHR1 (0.46) CRHR1KCNJ6KCNJ5KCNJ3RAB9A
SCHEMBL16347382 0.74 KDM4E (0.43) KCNJ6KCNJ5KCNJ3KDM4E
SCHEMBL25745815 0.73 CNR1 (0.47) CRHR1KCNJ6KCNJ5KCNJ3RAB9A
SCHEMBL22667106 0.73 CRHR1 (0.50) CRHR1KCNJ6KCNJ5KCNJ3RAB9A
SCHEMBL24757774 0.73 LMNA (0.45) CRHR1KCNJ6KCNJ5KCNJ3RAB9A
SCHEMBL15746137 0.72 GAA (0.42) CRHR1MAPTNPSR1LMNAPKM
SCHEMBL16168603 0.72 RAB9A (0.56) KCNJ6KCNJ5KCNJ3RAB9AMEN1

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-2011095450-A1 CYCLOHEXYL AMIDE DERIVATIVES AS CRF RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-08-11 WO disclosed