SCHEMBL7967897

SCHEMBL7967897

NNC(=O)NNCCCN1CCC(c2cccs2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CCR3 P51677 5/20 0.41
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
THRB P10828 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL7961256 0.83 CCR2 (0.39) CCR3ADRA1DADRA1AADRA1BKMT2A
SCHEMBL7967898 0.81 POLB (0.46) GLAGAAADRA1DADRA1AADRA1B
SCHEMBL7957582 0.80 OPRL1 (0.45) CCR3ADRA1DADRA1AADRA1BSLC6A2
SCHEMBL7963985 0.79 DRD2 (0.52) CCR3ADRA1DADRA1AADRA1BDRD2
SCHEMBL7957650 0.79 ADRA1A (0.56) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7960161 0.79 CCR2 (0.53) DRD2DRD3
SCHEMBL7961236 0.79 CCR2 (0.46) CCR3ADRA1DADRA1AADRA1BTSHR
SCHEMBL7964049 0.79 CCR1 (0.48) GLAGAAADRA1ALMNARAB9A
SCHEMBL7949578 0.78 DRD2 (0.46) ADRA1DADRA1AADRA1BDRD2DRD3
SCHEMBL7957071 0.78 DRD2 (0.54) ADRA1ADRD2DRD3

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