SCHEMBL4643445

SCHEMBL4643445

CN(CCN1CCCCC1)c1nc2ccc(NC(=O)Oc3ccc(-c4ccc(F)cc4)cc3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
THRB P10828 2/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTR2C P28335 3/20 0.42
MCHR1 Q99705 3/20 0.42
EPHX2 P34913 1/20 0.41
TMPRSS15 P98073 2/20 0.41
AURKB Q96GD4 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4641475 0.99 MAPT (0.45) RAB9ANPC1TSHRMAPTPOLB
SCHEMBL13054194 0.88 HTR2C (0.56) MAPTPOLBTHRBLMNAHTR2C
SCHEMBL13054192 0.87 HTR2C (0.57) MAPTPOLBTHRBLMNAHTR2C
SCHEMBL4641244 0.86 ALDH1A1 (0.45) MAPTPOLBLMNAMCHR1TMPRSS15
SCHEMBL4641303 0.83 TMPRSS15 (0.44) MAPTLMNATMPRSS15TP53KMT2A
SCHEMBL4641189 0.83 CHRM3 (0.41) RAB9ANPC1MAPTPOLBTHRB
SCHEMBL4647290 0.81 MAPT (0.39) RAB9ANPC1MAPTPOLBTHRB
SCHEMBL4641465 0.80 KMT2A (0.41) RAB9ANPC1MAPTPOLBTHRB
SCHEMBL5244723 0.80 TP53 (0.56) RAB9ANPC1TSHRMAPTPOLB
SCHEMBL4641261 0.80 KDM4E (0.44) RAB9ANPC1MAPTPOLBTHRB

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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed