SCHEMBL9564865

SCHEMBL9564865

Fc1ccc(Cn2c(NC3CCN(Cc4ccccc4)CC3)nc3ncnc(Cl)c32)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 8/20 0.63
ACHE P22303 3/20 0.51
BACE1 P56817 3/20 0.51
BCHE P06276 2/20 0.50
KCNH2 Q12809 3/20 0.48
NR4A2 P43354 2/20 0.48
SIGMAR1 Q99720 4/20 0.47
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
MEN1 O00255 1/20 0.46
MLNR O43193 1/20 0.46
CACNA1F O60840 1/20 0.46
EED O75530 1/20 0.46
USP2 O75604 1/20 0.46
ABCB11 O95342 1/20 0.46
EGFR P00533 1/20 0.46

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
SCHEMBL9564952 0.83 SSTR5 (0.69) SSTR5ACHEBACE1BCHEKCNH2
SCHEMBL9564890 0.82 ALDH1A1 (0.46) SSTR5ACHEBACE1BCHESLC6A4
SCHEMBL9564786 0.80 ALDH1A1 (0.47) GAALMNAMAPTHTTKMT2A
SCHEMBL9564924 0.77 KCNH2 (0.47) SSTR5KCNH2NR4A2SIGMAR1GAA
SCHEMBL11573432 0.77 SSTR5 (0.74) SSTR5ACHEBACE1BCHEKCNH2
SCHEMBL9564765 0.74 KCNH2 (0.58) SSTR5ACHEBACE1KCNH2NR4A2
SCHEMBL9564827 0.74 SSTR5 (0.44) SSTR5KCNH2NR4A2SIGMAR1GAA
SCHEMBL12046435 0.74 SSTR5 (0.64) SSTR5ACHEBACE1BCHEKCNH2
Bromide SCHEMBL9564852 0.73 KCNH2 (0.57) SSTR5KCNH2NR4A2SIGMAR1GAA
SCHEMBL3997031 0.71 ACHE (0.68) SSTR5ACHEBACE1BCHESIGMAR1

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