SCHEMBL9865735

SCHEMBL9865735

Oc1ccccc1CCN1CCC(Nc2nc3cncnc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.58
NR4A2 P43354 2/20 0.58
SSTR5 P35346 8/20 0.56
USP2 O75604 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP3A4 P08684 3/20 0.52
CYP2C19 P33261 3/20 0.52
EED O75530 2/20 0.52
HRH1 P35367 2/20 0.52
HRH4 Q9H3N8 2/20 0.52
CYP2D6 P10635 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
MLNR O43193 1/20 0.52
CACNA1F O60840 1/20 0.52
ABCB11 O95342 1/20 0.52
EGFR P00533 1/20 0.52
LMNA P02545 1/20 0.52
HLA-A P04439 1/20 0.52
ERBB2 P04626 1/20 0.52

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
SCHEMBL9565058 0.86 SSTR5 (0.54) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9564929 0.86 SSTR5 (0.57) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9564897 0.84 SSTR5 (0.54) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9564883 0.84 CYP1A2 (0.45) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9564810 0.84 SSTR5 (0.53) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9564985 0.82 SSTR5 (0.51) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9601699 0.82 SSTR5 (0.52) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9602108 0.81 KCNH2 (0.49) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9564822 0.80 KCNH2 (0.48) KCNH2NR4A2SSTR5USP2CYP1A2
SCHEMBL9564831 0.80 SSTR5 (0.52) KCNH2NR4A2SSTR5USP2CYP1A2

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-5041448-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed