SCHEMBL9564985

SCHEMBL9564985

Fc1ccc(Cn2c(NC3CCN(CCNc4ncccn4)CC3)nc3cncnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 6/20 0.51
KCNH2 Q12809 5/20 0.49
NR4A2 P43354 2/20 0.49
USP2 O75604 7/20 0.47
CYP1A2 P05177 7/20 0.47
CYP3A4 P08684 7/20 0.47
CYP2C19 P33261 6/20 0.47
LMNA P02545 3/20 0.47
EED O75530 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HRH1 P35367 2/20 0.47
HRH4 Q9H3N8 2/20 0.47
CYP2D6 P10635 2/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1F O60840 1/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
HLA-A P04439 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL1151797 0.87 SSTR5 (0.59) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9564954 0.87 SSTR5 (0.47) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9564897 0.86 SSTR5 (0.54) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9565058 0.86 SSTR5 (0.54) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9564929 0.86 SSTR5 (0.57) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9698322 0.85 SSTR5 (0.59) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9564810 0.85 SSTR5 (0.53) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9564799 0.85 SSTR5 (0.45) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9697183 0.84 SSTR5 (0.72) SSTR5KCNH2NR4A2USP2CYP1A2
SCHEMBL9602108 0.84 KCNH2 (0.49) SSTR5KCNH2NR4A2USP2CYP1A2

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-5258380-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1993-11-02 US disclosed
US-5041448-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1991-08-20 US disclosed
EP-0206415-A2 (4-Piperidinylmethyl and -hetero)purines JANSSEN PHARMACEUTICA N.V. (BE) 1986-12-30 EP disclosed