SCHEMBL7960085

SCHEMBL7960085

CC(C(=O)c1nn(C)c2c1CCCC2)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
GRM5 P41594 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ABCB1 P08183 1/20 0.39
AKR1C3 P42330 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
TP53 P04637 1/20 0.38
F12 P00748 1/20 0.36

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
SCHEMBL7960090 0.79 HTR1A (0.54) HRH3DRD2DRD4
SCHEMBL8568212 0.71 CTDSP1 (0.40) MAPTLMNAALDH1A1
SCHEMBL7960186 0.70 HTR1A (0.54) DRD2DRD4
SCHEMBL7959536 0.69 SIGMAR1 (0.52) DRD2DRD4
SCHEMBL5812502 0.65 PTGS2 (0.59)
SCHEMBL11537322 0.65 MAPT (0.53) MAPTSMN1; SMN2LMNAAKR1C3ALDH1A1
SCHEMBL20673836 0.65 GRM5 (0.50) MAPTGRM5LMNABRD4CREBBP
SCHEMBL19659007 0.65 POLB (0.50) MAPTGRM5LMNABRD4ALDH1A1
SCHEMBL13898896 0.64 KDM4E (0.67) MAPTHRH3SMN1; SMN2LMNAAKR1C3
SCHEMBL19658526 0.63 GRM5 (0.49) MAPTGRM5LMNABRD4

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