SCHEMBL7657444

SCHEMBL7657444

CN(C)CC1=Cc2ncc(N(Cl)C(=O)c3ccc(-c4ccccc4)cc3)cc2CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.45
OXTR P30559 1/20 0.41
KCNH2 Q12809 3/20 0.41
HTR2C P28335 2/20 0.41
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
SLC6A7 Q99884 1/20 0.36

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
SCHEMBL5582563 0.80 MCHR1 (0.58) MCHR1HDAC3HDAC1HDAC2
SCHEMBL7678419 0.76 MCHR1 (0.45) MCHR1OXTRALDH1A1MAPTHPGD
SCHEMBL5582718 0.73 MCHR1 (0.71) MCHR1
SCHEMBL5582702 0.69 MCHR1 (0.82) MCHR1HTR2C
SCHEMBL28195590 0.68 MCHR1 (0.52) MCHR1HDAC3HDAC1HDAC2
SCHEMBL5582905 0.66 PIKFYVE (0.33) MCHR1
SCHEMBL5858450 0.64 MAPT (0.59) OXTRALDH1A1MAPTHPGDKDM4E
SCHEMBL5583904 0.62 MCHR1 (0.69) MCHR1HTR2C
SCHEMBL5994627 0.62 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL2047793 0.60 HPGD (0.63) ALDH1A1MAPTHPGDKDM4EUSP2

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 4 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 claimed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO claimed
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