SCHEMBL741009

SCHEMBL741009

O=C(NC1CCCCC1)N1CCCC(c2nc3ccccc3[nH]2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.63
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 2/20 0.57
HTR2B P41595 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MAPK1 P28482 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GID4 Q8IVV7 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13853671 0.85 POLB (0.62) USP30POLBHTR2BKDM4EMAPK1
SCHEMBL741494 0.83 KDM4E (0.65) USP30POLBHTR2BKDM4EMAPK1
SCHEMBL2514536 0.83 HTR2B (0.61) USP30POLBHTR2BKDM4EMAPK1
SCHEMBL742415 0.83 HTR2B (0.61) USP30POLBHTR2BKDM4EMAPK1
SCHEMBL2520100 0.83 HTR2B (0.61) USP30POLBHTR2BKDM4EMAPK1
SCHEMBL742064 0.82 POLB (0.56) USP30POLBHTR2BKDM4EMAPK1
SCHEMBL763386 0.81 MAPK1 (0.79) USP30POLBHTR2BKDM4EMAPK1
SCHEMBL740792 0.81 HTR2B (0.54) USP30POLBHTR2BKDM4EMAPK1
SCHEMBL740765 0.81 POLB (0.78) USP30LMNAPOLBHTR2BKDM4E
SCHEMBL739141 0.80 HTR2B (0.71) POLBHTR2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed