SCHEMBL9564952

SCHEMBL9564952

Fc1ccc(Cn2c(NC3CCN(Cc4ccccc4)CC3)nc3ncncc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.69
KCNH2 Q12809 4/20 0.52
NR4A2 P43354 2/20 0.52
ACHE P22303 3/20 0.51
BACE1 P56817 3/20 0.51
SIGMAR1 Q99720 3/20 0.50
EED O75530 2/20 0.50
BCHE P06276 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
MLNR O43193 1/20 0.50
CACNA1F O60840 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
LMNA P02545 1/20 0.50
HLA-A P04439 1/20 0.50
ERBB2 P04626 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL9564765 0.91 KCNH2 (0.58) SSTR5KCNH2NR4A2ACHEBACE1
SCHEMBL9564865 0.83 SSTR5 (0.63) SSTR5KCNH2NR4A2ACHEBACE1
SCHEMBL11573432 0.77 SSTR5 (0.74) SSTR5KCNH2NR4A2ACHEBACE1
SCHEMBL9740499 0.75 SSTR5 (0.58) SSTR5KCNH2NR4A2SIGMAR1EED
Water SCHEMBL9740909 0.75 SSTR5 (0.59) SSTR5KCNH2NR4A2SIGMAR1EED
SCHEMBL10509480 0.74 SSTR5 (0.84) SSTR5KCNH2NR4A2SIGMAR1EED
SCHEMBL12046435 0.74 SSTR5 (0.64) SSTR5KCNH2ACHEBACE1SIGMAR1
SCHEMBL10551207 0.74 SSTR5 (0.58) SSTR5KCNH2NR4A2ACHEBACE1
SCHEMBL9742751 0.73 SSTR5 (0.63) SSTR5KCNH2NR4A2SIGMAR1EED
SCHEMBL11036542 0.73 SSTR5 (0.64) SSTR5KCNH2NR4A2SIGMAR1EED

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