SCHEMBL13314818

SCHEMBL13314818

N=C(N)Nc1nc2c(s1)CCCC21CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL3537408 0.83 TSHR (0.35) TSHRNPC1RAB9AMEN1LMNA
SCHEMBL3536434 0.79 TSHR (0.32) TSHRNPC1RAB9ALMNA
SCHEMBL13314783 0.79 TSHR (0.32) TSHRNPC1RAB9ALMNA
SCHEMBL3542567 0.77 TSHR (0.31) TSHR
SCHEMBL13314788 0.77 TSHR (0.31) TSHR
SCHEMBL3536462 0.76 TSHR (0.33) TSHRNPC1RAB9ALMNAMAPT
SCHEMBL13314785 0.76 TSHR (0.33) TSHRNPC1RAB9ALMNAMAPT
SCHEMBL13314773 0.74 TSHR (0.56) TSHRNPC1RAB9AMEN1LMNA
SCHEMBL13314819 0.74 LMNA (0.33) TSHRLMNAMAPTHTT
SCHEMBL13314772 0.72 TSHR (0.54) TSHRNPC1RAB9AMEN1LMNA

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
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed