SCHEMBL14619979

SCHEMBL14619979

CCN(CC)Cc1cnc2cc(NC(=O)c3ccc(-c4ccc(CI)cc4)cc3)c(OC)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.43
HTR2C P28335 4/20 0.43
MAPT P10636 6/20 0.43
TP53 P04637 2/20 0.43
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
F10 P00742 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ACHE P22303 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5647638 0.90 F10 (0.50) MCHR1HTR2CMAPTTP53PDGFRB
SCHEMBL5644738 0.81 PDGFRB (0.42) TP53PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL5646648 0.78 MCHR1 (0.68) MCHR1HTR2CMAPTTP53F10
SCHEMBL5644296 0.73 MCHR1 (0.69) MCHR1HTR2CMAPTKDM4EALDH1A1
SCHEMBL14619972 0.72 MCHR1 (0.56) MCHR1HTR2CMAPTNPC1HDAC1
SCHEMBL5649106 0.72 MCHR1 (0.68) MCHR1HTR2CMAPTF10KDM4E
SCHEMBL5651638 0.69 MCHR1 (0.68) MCHR1HTR2C
SCHEMBL5648264 0.68 PDGFRB (0.48) PDGFRBPDGFRAACHE
SCHEMBL5644842 0.68 MCHR1 (0.70) MCHR1HTR2CTP53HDAC1
SCHEMBL5646136 0.66 IRAK4 (0.47) TP53PDGFRBPDGFRAKDM4EALDH1A1

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
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed