SCHEMBL9629693

SCHEMBL9629693

O=c1[nH]c2ccccc2n1CCN1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.67
EED O75530 2/20 0.65
HRH1 P35367 2/20 0.62
HRH4 Q9H3N8 2/20 0.62
KCNH2 Q12809 8/20 0.61
NR4A2 P43354 2/20 0.61
LMNA P02545 2/20 0.59
GAA P10253 2/20 0.59
MEN1 O00255 1/20 0.59
MLNR O43193 1/20 0.59
CACNA1F O60840 1/20 0.59
USP2 O75604 1/20 0.59
ABCB11 O95342 1/20 0.59
EGFR P00533 1/20 0.59
HLA-A P04439 1/20 0.59
ERBB2 P04626 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
LCK P06239 1/20 0.59
FYN P06241 1/20 0.59

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
Oxalic Acid SCHEMBL9629240 0.96 SSTR5 (0.64) SSTR5EEDHRH1HRH4KCNH2
Oxalic Acid SCHEMBL9629236 0.96 SSTR5 (0.64) SSTR5EEDHRH1HRH4KCNH2
Oxalic Acid SCHEMBL9629248 0.96 SSTR5 (0.64) SSTR5EEDHRH1HRH4KCNH2
SCHEMBL11480631 0.90 SSTR5 (0.69) SSTR5EEDHRH1HRH4KCNH2
SCHEMBL11471733 0.85 SSTR5 (0.59) SSTR5EEDHRH1HRH4KCNH2
SCHEMBL9629452 0.85 SSTR5 (0.91) SSTR5EEDHRH1HRH4KCNH2
SCHEMBL9741726 0.85 SSTR5 (0.69) SSTR5EEDHRH1HRH4KCNH2
Hydrochloric Acid SCHEMBL11473528 0.84 SSTR5 (0.53) SSTR5EEDHRH1HRH4KCNH2
SCHEMBL11499340 0.84 SSTR5 (0.61) SSTR5EEDHRH1HRH4KCNH2
SCHEMBL9629523 0.83 EED (0.74) SSTR5EEDHRH1HRH4KCNH2

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 1 patent. 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 claimed