SCHEMBL9604063

SCHEMBL9604063

Nc1nnc(NCCN2CCC(Nc3nc4cncnc4n3Cc3ccccn3)CC2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.36
SSTR5 P35346 3/20 0.33
DRD4 P21917 2/20 0.33
KCNH2 Q12809 7/20 0.33
DRD2 P14416 2/20 0.33
OPRM1 P35372 2/20 0.32
NR4A2 P43354 1/20 0.32
MCHR1 Q99705 2/20 0.32
GPR6 P46095 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
MEN1 O00255 1/20 0.31
MLNR O43193 1/20 0.31
CACNA1F O60840 1/20 0.31
EED O75530 1/20 0.31

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
SCHEMBL9564838 0.83 SSTR5 (0.43) HRH1SSTR5DRD4KCNH2DRD2
SCHEMBL9698779 0.76 HRH1 (0.45) HRH1SSTR5DRD4KCNH2DRD2
SCHEMBL9565053 0.76 KCNH2 (0.57) HRH1SSTR5DRD4KCNH2DRD2
SCHEMBL9565012 0.76 SSTR5 (0.39) HRH1SSTR5DRD4KCNH2DRD2
SCHEMBL9564782 0.76 KCNH2 (0.45) HRH1KCNH2NR4A2ALDH1A1LMNA
SCHEMBL9564929 0.75 SSTR5 (0.57) HRH1SSTR5DRD4KCNH2DRD2
SCHEMBL9564906 0.74 SSTR5 (0.39) HRH1SSTR5DRD4KCNH2DRD2
SCHEMBL9564985 0.74 SSTR5 (0.51) HRH1SSTR5DRD4KCNH2DRD2
SCHEMBL9699544 0.73 HRH1 (0.47) HRH1SSTR5DRD4KCNH2DRD2
SCHEMBL9564954 0.73 SSTR5 (0.47) HRH1SSTR5DRD4KCNH2DRD2

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
EP-0206415-B1 (4-PIPERIDINYLMETHYL AND -HETERO)PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-27 EP disclosed