SCHEMBL7964127

SCHEMBL7964127

Cn1nc(C(=O)CCCl)c2c1CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
BRD4 O60885 1/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SSTR4 P31391 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 3/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
HIF1A Q16665 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL20673837 0.83 GRM5 (0.47) GRM5BRD4POLBMAPTTDP1
SCHEMBL19659007 0.77 POLB (0.50) GRM5BRD4POLBMAPTTDP1
SCHEMBL20673836 0.77 GRM5 (0.50) GRM5BRD4POLBMAPTTDP1
SCHEMBL19658526 0.76 GRM5 (0.49) GRM5BRD4POLBMAPTTDP1
SCHEMBL22518535 0.75 GRM5 (0.55) GRM5BRD4POLBMAPTTDP1
SCHEMBL20674213 0.74 GRM5 (0.48) GRM5BRD4POLBMAPTTDP1
SCHEMBL18984188 0.74 GRM5 (0.47) GRM5BRD4POLBMAPTTDP1
SCHEMBL7960090 0.74 HTR1A (0.54) KMT2A
SCHEMBL3797225 0.73 GRM5 (0.47) GRM5BRD4POLBMAPTALDH1A1
SCHEMBL20673862 0.72 GRM5 (0.46) GRM5BRD4POLBMAPTTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed