SCHEMBL3402322

SCHEMBL3402322

CCCCN1CCCN(C(=O)c2sc(-c3cccc(OC)c3)nc2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
HTR2C P28335 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.43
DCTPP1 Q9H773 1/20 0.43

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
SCHEMBL3400762 0.93 POLB (0.45) CNR1POLBMAPTKMT2AMEN1
SCHEMBL3402959 0.91 HRH3 (0.46) CNR1MAPTKMT2AMEN1HTR2C
SCHEMBL3405886 0.91 CNR1 (0.43) CNR1POLBMAPTKMT2AMEN1
SCHEMBL3405569 0.90 CNR1 (0.48) CNR1MAPTKMT2AMEN1HTR2C
SCHEMBL3404063 0.88 TRPM8 (0.50) CNR1MAPTHTR2CTHRATHRB
SCHEMBL3405405 0.88 KMT2A (0.53) CNR1MAPTKMT2AMEN1HTR2C
SCHEMBL3402239 0.88 CNR1 (0.49) CNR1KMT2AHTR2CNPC1HPGD
SCHEMBL3405513 0.88 HRH3 (0.49) CNR1KMT2AMEN1HTR2CALDH1A1
SCHEMBL3401176 0.88 CNR1 (0.60) CNR1MAPTHTR2CALDH1A1NPC1
SCHEMBL3405411 0.88 CNR1 (0.46) CNR1POLBMAPTKMT2AMEN1

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-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed