SCHEMBL9629397

SCHEMBL9629397

Nc1ccncc1NC(=S)NCCN1CCC(Nc2nc3ccccc3n2Cc2cscn2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.39
KCNH2 Q12809 13/20 0.38
NR4A2 P43354 1/20 0.38
SSTR5 P35346 4/20 0.38
OPRK1 P41145 2/20 0.35
MEN1 O00255 1/20 0.35
MLNR O43193 1/20 0.35
CACNA1F O60840 1/20 0.35
USP2 O75604 1/20 0.35
ABCB11 O95342 1/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35
HLA-A P04439 1/20 0.35
ERBB2 P04626 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL9631303 0.91 ROCK2 (0.35) TP53HTR1AROCK2CCR2ROCK1
SCHEMBL9630310 0.86 EED (0.40) EEDKCNH2NR4A2SSTR5OPRK1
SCHEMBL9630327 0.85 EED (0.56) EEDKCNH2NR4A2SSTR5OPRK1
SCHEMBL9688923 0.85 EED (0.46) EEDKCNH2NR4A2SSTR5OPRK1
SCHEMBL9629390 0.85 EED (0.38) EEDKCNH2NR4A2SSTR5OPRK1
SCHEMBL1151619 0.81 SSTR5 (0.59) EEDKCNH2NR4A2SSTR5OPRK1
SCHEMBL9629505 0.81 SSTR5 (0.47) EEDKCNH2NR4A2SSTR5OPRK1
SCHEMBL1152716 0.81 KCNH2 (0.41) EEDKCNH2NR4A2SSTR5OPRK1
SCHEMBL9303034 0.80 KCNH2 (0.40) EEDKCNH2NR4A2SSTR5OPRK1
SCHEMBL9630454 0.79 EED (0.50) EEDKCNH2NR4A2SSTR5OPRK1

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-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed