SCHEMBL6187775

SCHEMBL6187775

Cc1ccc2c(c1)sc(=O)n2CC1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.40
RORC P51449 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PARP10 Q53GL7 1/20 0.39
FEN1 P39748 1/20 0.38
ATM Q13315 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH1 P35367 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
BRD4 O60885 1/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6189841 0.85 PARP10 (0.36) CNR2RAB9ANPC1PARP10FEN1
SCHEMBL6186909 0.85 SIGMAR1 (0.48) CNR2RORCFEN1ADRA2AADRA2B
SCHEMBL6189826 0.85 PLK1 (0.41) CNR2RORCFEN1
SCHEMBL6190194 0.85 DRD2 (0.44) CNR2RORCRAB9ANPC1FEN1
SCHEMBL6191699 0.81 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2TSHRMAPK1
SCHEMBL6186356 0.81 P2RX3 (0.44) CNR2RAB9ANPC1FEN1ATM
SCHEMBL6189813 0.81 CDYL2 (0.47) RORCRAB9AFEN1KMT2A
SCHEMBL6187161 0.77 TMEM97 (0.52) RAB9ANPC1SIGMAR1CYP2D6
SCHEMBL2590959 0.75 KDM4E (0.40) MEN1KMT2A
SCHEMBL7713334 0.74 SIGMAR1 (0.53) CNR2RORCSMN1; SMN2ADRA2AADRA2B

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-1043319-B1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEM CORP (JP) 2005-03-16 EP disclosed
EP-1043319-A1 NOVEL ALKYLAMINO DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-10-11 EP disclosed