SCHEMBL7957585

SCHEMBL7957585

NNC(=O)CCCN1CCC(c2ccccc2Cl)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
ADRA1B P35368 2/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 2/20 0.47
CACNA1G O43497 5/20 0.46
LMNA P02545 1/20 0.45
PRCP P42785 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
CCR2 P41597 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRL1 P41146 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 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
SCHEMBL7949576 0.91 DRD2 (0.48) KMT2AHTR1ADRD2CACNA1GLMNA
SCHEMBL7957074 0.83 DRD2 (0.58) KMT2ADRD2LMNAPOLBHTT
SCHEMBL7957582 0.81 OPRL1 (0.45) ADRA1BHTR1ADRD2CCR2ADRA1D
SCHEMBL7959651 0.81 ALDH1A1 (0.43) KMT2ADRD2POLBHTTCCR2
SCHEMBL7960163 0.80 DRD2 (0.62) DRD2PRCPCCR2
SCHEMBL7961179 0.79 DRD2 (0.47) DRD2CACNA1GPOLBCCR2OPRL1
SCHEMBL7957634 0.79 ALDH1A1 (0.50) DRD2CACNA1GPOLBHTT
SCHEMBL7949583 0.79 DRD2 (0.54) DRD2CACNA1GPRCPPOLB
SCHEMBL7961467 0.79 HTR4 (0.48) ADRA1BHTR1ADRD2POLB
SCHEMBL7961258 0.78 POLB (0.44) KMT2AHTR1ADRD2CACNA1GPRCP

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