SCHEMBL5777048

SCHEMBL5777048

COc1ccccc1N1CCN(CCCc2[nH]nc3c2CCCC3)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.56
DRD3 P35462 5/20 0.56
HTR1A P08908 3/20 0.55
SIGMAR1 Q99720 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR7 P34969 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD1 P21728 1/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
DRD4 P21917 1/20 0.52

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
SCHEMBL5773463 0.85 KDM4E (0.49) DRD2DRD3HTR1AHTR7DRD1
SCHEMBL5796556 0.83 DRD2 (0.53) DRD2DRD3HTR1AMEN1KMT2A
SCHEMBL5778134 0.82 HTR1A (0.53) DRD2DRD3HTR1AHTR7DRD1
SCHEMBL5772576 0.82 HTR1A (0.48) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL5772832 0.81 SIGMAR1 (0.53) DRD2DRD3HTR1ASIGMAR1HTR7
SCHEMBL5773811 0.80 KCNH2 (0.59) DRD2DRD3HTR1ASIGMAR1HTR7
SCHEMBL5772457 0.80 SIGMAR1 (0.52) DRD2DRD3HTR1ASIGMAR1HTR7
SCHEMBL5775488 0.80 DRD2 (0.52) DRD2DRD3HTR1AMEN1KMT2A
SCHEMBL5775854 0.80 DRD2 (0.54) DRD2DRD3HTR1AHTR7DRD1
SCHEMBL5776684 0.79 SIGMAR1 (0.53) DRD2DRD3HTR1ASIGMAR1HTR7

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
EP-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
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