SCHEMBL7960241

SCHEMBL7960241

OC1(c2ccc3ccccc3c2)CCN(CCCc2nnc3n2CCCCC3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.48
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
DRD3 P35462 3/20 0.44
SLC6A4 P31645 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
OPRL1 P41146 3/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
HTR7 P34969 2/20 0.41

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
SCHEMBL7959714 0.85 GAA (0.50) CCR1HTR1AHTR2ADRD3SLC6A4
SCHEMBL7959708 0.84 DRD2 (0.55) CCR1HTR1AHTR2ADRD3SLC6A4
SCHEMBL7957576 0.84 GAA (0.49) CCR1HTR1AHTR2ADRD3SLC6A4
SCHEMBL7961346 0.84 HSD11B1 (0.50) CCR1HTR1AHTR2ADRD3SLC6A4
SCHEMBL7959437 0.83 LMNA (0.51) CCR1HTR1AHTR2ADRD3SLC6A4
SCHEMBL7957371 0.83 LMNA (0.52) CCR1HTR1AHTR2ADRD3SLC6A4
SCHEMBL7959210 0.83 DRD2 (0.45) HTR1AHTR2ADRD3SLC6A4CHRM2
SCHEMBL7949233 0.83 CHRM2 (0.44) HTR1AHTR2ADRD3SLC6A4CHRM2
SCHEMBL7957541 0.81 OPRM1 (0.58) CCR1HTR1AHTR2ADRD3SLC6A4
SCHEMBL7957105 0.80 DRD2 (0.46) HTR1AHTR2ADRD3SLC6A4CHRM2

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