SCHEMBL9564838

SCHEMBL9564838

c1ccc(CCN2CCC(Nc3nc4cncnc4n3Cc3ccccn3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.43
HRH1 P35367 2/20 0.43
KCNH2 Q12809 11/20 0.42
NR4A2 P43354 1/20 0.41
HTR2A P28223 3/20 0.40
DRD4 P21917 2/20 0.40
MEN1 O00255 1/20 0.40
MLNR O43193 1/20 0.40
CACNA1F O60840 1/20 0.40
EED O75530 1/20 0.40
USP2 O75604 1/20 0.40
ABCB11 O95342 1/20 0.40
EGFR P00533 1/20 0.40
LMNA P02545 1/20 0.40
HLA-A P04439 1/20 0.40
ERBB2 P04626 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40

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
SCHEMBL9564929 0.90 SSTR5 (0.57) SSTR5HRH1KCNH2NR4A2HTR2A
SCHEMBL9565012 0.90 SSTR5 (0.39) SSTR5HRH1KCNH2NR4A2HTR2A
SCHEMBL9564906 0.90 SSTR5 (0.39) SSTR5HRH1KCNH2NR4A2HTR2A
SCHEMBL9564808 0.88 HTR2A (0.38) SSTR5HRH1KCNH2NR4A2HTR2A
SCHEMBL9565053 0.88 KCNH2 (0.57) SSTR5HRH1KCNH2NR4A2HTR2A
SCHEMBL9564782 0.84 KCNH2 (0.45) HRH1KCNH2NR4A2MEN1USP2
SCHEMBL9604063 0.83 HRH1 (0.36) SSTR5HRH1KCNH2NR4A2HTR2A
SCHEMBL9866590 0.81 OPRM1 (0.43) SSTR5HRH1KCNH2DRD4MEN1
SCHEMBL9602879 0.81 NOS2 (0.56) MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9699544 0.80 HRH1 (0.47) SSTR5HRH1KCNH2NR4A2HTR2A

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