SCHEMBL9630185

SCHEMBL9630185

Fc1ccc(Cn2c(NC3CCN(CCN=C=S)C3)nc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.68
SSTR5 P35346 8/20 0.67
KCNH2 Q12809 9/20 0.64
NR4A2 P43354 2/20 0.64
HRH1 P35367 2/20 0.61
HRH4 Q9H3N8 2/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 2/20 0.61
MEN1 O00255 1/20 0.61
MLNR O43193 1/20 0.61
CACNA1F O60840 1/20 0.61
USP2 O75604 1/20 0.61
ABCB11 O95342 1/20 0.61
EGFR P00533 1/20 0.61
HLA-A P04439 1/20 0.61
ERBB2 P04626 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
LCK P06239 1/20 0.61
FYN P06241 1/20 0.61

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
SCHEMBL9698352 0.95 SSTR5 (0.72) EEDSSTR5KCNH2NR4A2HRH1
SCHEMBL9629452 0.85 SSTR5 (0.91) EEDSSTR5KCNH2NR4A2HRH1
SCHEMBL9629523 0.85 EED (0.74) EEDSSTR5KCNH2NR4A2HRH1
Hydrochloric Acid SCHEMBL9631577 0.84 EED (0.73) EEDSSTR5KCNH2NR4A2HRH1
SCHEMBL9630426 0.83 EED (0.47) EEDSSTR5KCNH2NR4A2HRH1
SCHEMBL9631552 0.83 SSTR5 (0.72) EEDSSTR5KCNH2NR4A2HRH1
SCHEMBL9698198 0.82 SSTR5 (0.55) EEDSSTR5KCNH2NR4A2HRH1
SCHEMBL9631464 0.82 EED (0.46) EEDSSTR5KCNH2NR4A2HRH1
SCHEMBL9690981 0.82 EED (0.67) EEDSSTR5KCNH2NR4A2HRH1
SCHEMBL9699410 0.82 SSTR5 (0.54) EEDSSTR5KCNH2NR4A2HRH1

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