SCHEMBL7653660

SCHEMBL7653660

CC(=O)Nc1ccc2c(c1)CCC(OC(C)=O)=C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
BAZ2B Q9UIF8 1/20 0.45
CYP1A2 P05177 2/20 0.43
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
MCHR1 Q99705 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL14454771 0.75 MCHR1 (0.49) NPC1RAB9ABAZ2BHTR2CMCHR1
SCHEMBL30661164 0.74 MEN1 (0.39) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL9798491 0.74 MEN1 (0.39) MAOAALDH1A1KDM4EMEN1KMT2A
SCHEMBL5582526 0.74 MCHR1 (0.49) NPC1RAB9ABAZ2BHTR2CMCHR1
SCHEMBL5582516 0.74 MCHR1 (0.48) NPC1RAB9ABAZ2BHTR2CMCHR1
SCHEMBL16215381 0.73 BAZ2B (0.56) NPC1RAB9ABAZ2BCYP1A2ADRA2A
SCHEMBL27375522 0.73 NPC1 (0.53) NPC1RAB9ABAZ2BCYP1A2ADRA2A
SCHEMBL5582597 0.71 MCHR1 (0.54) NPC1RAB9AHTR2CKDM4EMAPT
SCHEMBL5582531 0.71 NPC1 (0.50) NPC1RAB9ABAZ2BCYP1A2ADRA2A
SCHEMBL5582789 0.69 MCHR1 (0.56) NPC1RAB9AHTR2CALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed